C5H10N2O1-1
(Cyanomethoxy)(dimethylamino)methane
Experimental GED rh1 structure <bib id="AltovaRJPCA2014" />.
Gauche-anti conformer (65 % @ 333 K)
<jmol>
<jmolApplet> <inlineContents>
18 Gauche-anti N 0.2520782648 0.3334782669 1.2070806829 C 0.3939854770 -0.1652553259 -0.1210732587 C 0.2685774833 1.0383654698 -1.0533551417 N 0.2180273141 1.7417290000 -1.9606300409 O -0.5521914836 -1.1785805041 -0.4421213783 C -0.1392657147 -1.6737789789 -1.7044107003 C 0.6729420220 -0.6305390766 2.2210864134 C -0.9952055515 0.9946197531 1.5939372305 H 1.6738648710 -0.9614886857 1.8790063037 H -0.0906193714 -1.4424540975 2.2483228359 H 0.7141297449 -0.0226107540 3.1461848172 H -1.7796432977 0.2062279857 1.6601203706 H -1.1672748731 1.7400080593 0.7939970845 H -0.7394928904 1.4581062052 2.5668938920 H 0.9125395093 -2.0123418823 -1.5619825767 H -0.2616298937 -0.8310414250 -2.4192526735 H -0.8590623490 -2.4988993595 -1.8542864898 H 1.4353825170 -0.5658544061 -0.1191266970
</inlineContents> </jmolApplet>
</jmol>
Anti-gauche conformer (35 % @ 333 K)
<jmol>
<jmolApplet> <inlineContents>
18 Anti-gauche N -0.0117847100 -1.0114282406 0.1171302148 C -0.3807108607 0.3307759298 -0.2810159918 C -0.1227879767 1.2873738460 0.8863883459 N -0.0371423295 1.7276609382 1.9446718506 O 0.3274467151 0.8008263442 -1.3948720940 C -0.2461895216 0.0867010069 -2.4821256678 C 1.3705513851 -1.1251923047 0.5826764569 C -0.9236544797 -1.7270457230 1.0036781755 H 1.9540692345 -0.5916056521 -0.1900501973 H 1.4152806380 -0.6552958357 1.5945533362 H 1.5465556343 -2.2186654597 0.5882040195 H -0.8769394656 -1.2339209333 2.0054081157 H -1.9101972363 -1.6457667003 0.5048788675 H -0.5230324498 -2.7597254994 1.0015501593 H -0.0653825660 -0.9860424075 -2.2679490825 H -1.3183872038 0.3867051371 -2.4914483386 H 0.3396375395 0.4950109738 -3.3251018816 H -1.4733257264 0.2097665336 -0.4720853638
</inlineContents> </jmolApplet>
</jmol>