Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
HCN |
Hydrogen cyanide |
1.171 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.228 |
1 |
3 |
HNC+ |
hydrogen isocyanide cation |
1.152 |
1 |
2 |
CH2NH |
Methanimine |
1.284 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.248 |
1 |
2 |
CHNH2 |
aminomethylene |
1.325 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.286 |
1 |
2 |
CH3NH2 |
methyl amine |
1.468 |
1 |
2 |
CNN |
Diazocarbene |
1.241 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.182 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.198 |
2 |
3 |
KCN |
Potassium cyanide |
1.194 |
2 |
3 |
NCO |
isocyanato radical |
1.241 |
1 |
2 |
CNF |
iso cyanogen fluoride |
1.197 |
1 |
2 |
ClCN |
chlorocyanogen |
1.176 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.176 |
1 |
2 |
HCNO |
fulminic acid |
1.174 |
2 |
3 |
HSCN |
thiocyanic acid |
1.176 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.218 |
1 |
2 |
HNCNH |
diiminomethane |
1.239 |
1 |
2 |
|
|
1.239 |
1 |
3 |
CH3CN- |
acetonitrile anion |
1.242 |
2 |
3 |
CH3CN |
Acetonitrile |
1.172 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.272 |
1 |
2 |
|
|
1.573 |
1 |
3 |
HCNCH2+ |
2H-Azirine cation |
1.223 |
1 |
2 |
|
|
1.480 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.528 |
1 |
2 |
|
|
1.528 |
1 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.172 |
1 |
2 |
|
|
1.420 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.179 |
1 |
2 |
|
|
1.292 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.420 |
1 |
2 |
|
|
1.172 |
1 |
3 |
HCCNH2 |
Ethynamine |
1.375 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.163 |
1 |
2 |
|
|
1.298 |
1 |
3 |
CH2NOH |
formaldoxime |
1.287 |
1 |
2 |
CH3NO |
nitrosomethane |
1.493 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.445 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.273 |
1 |
3 |
CHSNH2 |
thioformamide |
1.349 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.282 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.304 |
1 |
3 |
C2H5N |
Aziridine |
1.479 |
1 |
3 |
|
|
1.479 |
1 |
4 |
C2H5NH+ |
Protonated Aziridine |
1.017 |
1 |
2 |
|
|
1.017 |
1 |
3 |
CH3NHCH3 |
Dimethylamine |
1.462 |
1 |
3 |
|
|
1.462 |
1 |
4 |
(CH3)2NH2+ |
dimethylammonium cation |
1.507 |
1 |
2 |
|
|
1.507 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.525 |
1 |
2 |
C2N2 |
Cyanogen |
1.176 |
1 |
3 |
|
|
1.176 |
2 |
4 |
HNCCNH |
Ethenediimine |
1.262 |
1 |
3 |
|
|
1.262 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.292 |
1 |
2 |
|
|
1.178 |
3 |
4 |
|
|
1.368 |
2 |
3 |
CH3N3 |
methyl azide |
1.479 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.495 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.173 |
2 |
7 |
CH3NCO |
methylisocyante |
1.452 |
1 |
2 |
|
|
1.217 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.174 |
3 |
4 |
|
|
1.462 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.376 |
1 |
3 |
|
|
1.376 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.498 |
1 |
2 |
NH2CONH2 |
Urea |
1.377 |
1 |
3 |
|
|
1.377 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.534 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.314 |
1 |
3 |
C2H5CN |
ethyl cyanide |
1.173 |
3 |
4 |
CH3CHNOH |
Acetaldoxime |
1.290 |
2 |
3 |
CH5N2O+ |
urea, N-protonated |
1.579 |
1 |
3 |
|
|
1.338 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.280 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.330 |
1 |
3 |
|
|
1.322 |
1 |
4 |
CH3CSNH2 |
Ethanethioamide |
1.354 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.424 |
1 |
3 |
|
|
1.424 |
2 |
4 |
CH7N3 |
triaminomethane |
1.463 |
1 |
3 |
|
|
1.463 |
1 |
4 |
|
|
1.463 |
1 |
5 |
NH2CH2CH2CH3 |
1-Propanamine |
1.469 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.525 |
3 |
4 |
C2H2N2O |
Furazan |
1.315 |
2 |
4 |
|
|
1.315 |
3 |
5 |
C3H3NS |
Thiazole |
1.310 |
2 |
4 |
|
|
1.387 |
4 |
5 |
C3H4N2 |
1H-Imidazole |
1.322 |
2 |
4 |
|
|
1.387 |
4 |
5 |
|
|
1.370 |
1 |
2 |
|
|
1.384 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.294 |
2 |
3 |
|
|
1.468 |
3 |
4 |
|
|
1.439 |
1 |
2 |
|
|
1.298 |
1 |
5 |
C3H4N2 |
2H-Imidazole |
1.363 |
1 |
2 |
|
|
1.363 |
1 |
3 |
|
|
1.266 |
2 |
4 |
|
|
1.266 |
3 |
5 |
CH3OCH2CN |
Methoxyacetonitrile |
1.173 |
4 |
5 |
C4H6N+ |
pyrrole, protonated |
1.488 |
1 |
2 |
|
|
1.488 |
1 |
3 |
C4H6N+ |
pyrrole, beta-protonated |
1.306 |
1 |
2 |
|
|
1.437 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.468 |
1 |
2 |
|
|
1.310 |
1 |
3 |
NH(C2H5)2 |
diethylamine |
1.465 |
1 |
2 |
|
|
1.465 |
1 |
3 |
C2H4N2S2 |
Ethanedithioamide |
1.337 |
1 |
5 |
|
|
1.337 |
2 |
6 |
C5H6N+ |
Pyridinium |
1.356 |
1 |
2 |
|
|
1.356 |
1 |
3 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.392 |
1 |
3 |
|
|
1.392 |
1 |
4 |
|
|
1.460 |
3 |
5 |
|
|
1.460 |
4 |
6 |
CH(CN)3 |
tricyanomethane |
1.172 |
3 |
6 |
|
|
1.172 |
4 |
7 |
|
|
1.172 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.222 |
2 |
3 |
|
|
1.175 |
4 |
6 |
|
|
1.175 |
5 |
7 |
C6H5NO |
nitrosobenzene |
1.456 |
1 |
7 |