Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.177 |
1 |
2 |
CN |
Cyano radical |
1.167 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.151 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.212 |
1 |
3 |
HNC |
hydrogen isocyanide |
1.168 |
1 |
2 |
HNC+ |
hydrogen isocyanide cation |
1.136 |
1 |
2 |
H2CN |
Dihydrogen cyanide radical |
1.247 |
1 |
2 |
CNH2 |
Aminomethylidyne radical |
1.297 |
1 |
2 |
HCNH |
methyleneazane |
1.235 |
1 |
2 |
CH2NH |
Methanimine |
1.271 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.234 |
1 |
2 |
CHNH2 |
aminomethylene |
1.313 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.275 |
1 |
2 |
CH3NH2 |
methyl amine |
1.465 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.431 |
1 |
2 |
NCN |
Cyanoimidogen |
1.230 |
1 |
2 |
|
|
1.230 |
1 |
3 |
LiCN |
lithium cyanide |
1.176 |
2 |
3 |
CNN |
Diazocarbene |
1.228 |
1 |
2 |
CN2 |
3H-Diazirin-3-ylidene |
1.386 |
1 |
2 |
|
|
1.386 |
1 |
3 |
NaCN |
Sodium Cyanide |
1.178 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.164 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.180 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.162 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.177 |
2 |
3 |
NCO |
isocyanato radical |
1.227 |
1 |
2 |
FCN |
Cyanogen fluoride |
1.155 |
1 |
3 |
CNF |
iso cyanogen fluoride |
1.174 |
1 |
2 |
ClCN |
chlorocyanogen |
1.154 |
2 |
3 |
BrCN |
Cyanogen bromide |
1.157 |
1 |
2 |
HCCN |
cyanomethylene |
1.189 |
2 |
3 |
HCNO |
fulminic acid |
1.154 |
2 |
3 |
HSCN |
thiocyanic acid |
1.158 |
2 |
3 |
HNCNH |
diiminomethane |
1.224 |
1 |
2 |
|
|
1.224 |
1 |
3 |
NH2CN |
cyanamide |
1.159 |
1 |
2 |
|
|
1.333 |
1 |
3 |
CH3CN |
Acetonitrile |
1.154 |
2 |
3 |
CHNHCH |
1H-Azirine |
1.515 |
1 |
2 |
|
|
1.515 |
1 |
3 |
CH3NC |
methyl isocyanide |
1.424 |
1 |
2 |
|
|
1.167 |
2 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.152 |
1 |
2 |
|
|
1.410 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.153 |
1 |
2 |
|
|
1.287 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.410 |
1 |
2 |
|
|
1.152 |
1 |
3 |
H2CCNH |
Ethenimine |
1.227 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.147 |
1 |
2 |
|
|
1.290 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.276 |
1 |
2 |
|
|
1.223 |
2 |
3 |
CHONH2 |
formamide |
1.357 |
1 |
3 |
CH2NOH |
formaldoxime |
1.270 |
1 |
2 |
CH3NO |
nitrosomethane |
1.481 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.433 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.263 |
1 |
3 |
CHSNH2 |
thioformamide |
1.340 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.268 |
1 |
2 |
CH3CHN |
methylmethaniminyl radical |
1.249 |
1 |
3 |
CH2CHNH |
vinylazine |
1.312 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.294 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.294 |
1 |
3 |
CH3CHNH |
ethanimine |
1.271 |
2 |
3 |
NH2CH2OH |
aminomethanol |
1.439 |
1 |
2 |
NH2CH2NH2 |
diaminomethane |
1.459 |
1 |
2 |
|
|
1.459 |
1 |
3 |
CH3CH2NH2 |
Ethylamine |
1.466 |
1 |
2 |
CH3NHCH3 |
Dimethylamine |
1.453 |
1 |
3 |
|
|
1.453 |
1 |
4 |
(CH3)2NH2+ |
dimethylammonium cation |
1.499 |
1 |
2 |
|
|
1.499 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.518 |
1 |
2 |
C2N2 |
Cyanogen |
1.155 |
1 |
3 |
|
|
1.155 |
2 |
4 |
HCCCN |
Cyanoacetylene |
1.154 |
1 |
2 |
HNCCNH |
Ethenediimine |
1.246 |
1 |
3 |
|
|
1.246 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.158 |
3 |
4 |
|
|
1.276 |
1 |
2 |
|
|
1.357 |
2 |
3 |
C3H3N |
acrylonitrile |
1.156 |
1 |
2 |
C3H3N+ |
acrylonitrile cation |
1.175 |
1 |
2 |
CH3N3 |
methyl azide |
1.473 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.488 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.155 |
2 |
7 |
NH2COOH |
Carbamic acid |
1.359 |
1 |
3 |
CH3NCO |
methylisocyante |
1.445 |
1 |
2 |
|
|
1.200 |
2 |
3 |
C2H3NO |
Nitrosoethylene |
1.435 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.155 |
3 |
4 |
|
|
1.455 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.362 |
1 |
3 |
|
|
1.362 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.489 |
1 |
2 |
NH2CONH2 |
Urea |
1.383 |
1 |
3 |
|
|
1.383 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.519 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.305 |
1 |
3 |
C2H5CN |
ethyl cyanide |
1.155 |
3 |
4 |
CH3CONH2 |
Acetamide |
1.368 |
2 |
3 |
CH3CHNOH |
Acetaldoxime |
1.269 |
2 |
3 |
CH5N2O+ |
urea, N-protonated |
1.552 |
1 |
3 |
|
|
1.332 |
1 |
4 |
H2NCOHNH2+ |
urea, protonated |
1.321 |
1 |
3 |
|
|
1.314 |
1 |
4 |
H2NCHCHNH2 |
diaminoethylene |
1.418 |
1 |
3 |
|
|
1.418 |
2 |
4 |
CH3NNCH3 |
(Z)-1,2-Dimethyldiazene |
1.477 |
1 |
3 |
|
|
1.477 |
2 |
4 |
CH3NNCH3 |
(E)-1,2-Dimethyldiazene |
1.464 |
1 |
3 |
|
|
1.464 |
2 |
4 |
C3H7N |
Cyclopropylamine |
1.439 |
1 |
3 |
CH3CH(NH2)CH3 |
2-Propanamine |
1.466 |
1 |
2 |
N(CH3)3 |
Trimethylamine |
1.449 |
1 |
2 |
|
|
1.449 |
1 |
3 |
|
|
1.449 |
1 |
4 |
NH2CH2CH2CH3 |
1-Propanamine |
1.463 |
3 |
4 |
C2H2N2O |
Furazan |
1.298 |
2 |
4 |
|
|
1.298 |
3 |
5 |
C3H3N2- |
imidizolyl anion |
1.346 |
1 |
2 |
|
|
1.346 |
1 |
3 |
|
|
1.370 |
2 |
4 |
|
|
1.370 |
3 |
5 |
C3H3N2 |
imidazolyl radical |
1.370 |
1 |
2 |
|
|
1.370 |
1 |
3 |
|
|
1.314 |
2 |
4 |
|
|
1.314 |
3 |
5 |
C3H3NO |
Isoxazole |
1.304 |
2 |
4 |
C3H3NS |
Thiazole |
1.297 |
2 |
4 |
|
|
1.379 |
4 |
5 |
C3H4N2 |
1H-Imidazole |
1.307 |
2 |
4 |
|
|
1.382 |
4 |
5 |
|
|
1.361 |
1 |
2 |
|
|
1.379 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.278 |
2 |
3 |
|
|
1.458 |
3 |
4 |
|
|
1.433 |
1 |
2 |
|
|
1.284 |
1 |
5 |
C4H4N- |
pyrrolide anion |
1.361 |
1 |
2 |
|
|
1.361 |
1 |
3 |
C4H4N |
pyrrolide radical |
1.342 |
1 |
2 |
|
|
1.342 |
1 |
3 |
C4H5N |
Pyrrole |
1.371 |
1 |
3 |
|
|
1.371 |
1 |
4 |
C4H2N2 |
Fumaronitrile |
1.156 |
3 |
5 |
|
|
1.156 |
4 |
6 |
CH(CN)3 |
tricyanomethane |
1.153 |
3 |
6 |
|
|
1.153 |
4 |
7 |
|
|
1.153 |
5 |
8 |