Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CN- |
cyanide anion |
1.175 |
1 |
2 |
CN |
Cyano radical |
1.130 |
1 |
2 |
CN+ |
Cyano cation |
1.197 |
1 |
2 |
HCN |
Hydrogen cyanide |
1.151 |
1 |
3 |
HCN+ |
hydrogen cyanide cation |
1.193 |
1 |
3 |
HNC+ |
hydrogen isocyanide cation |
1.112 |
1 |
2 |
H2CN |
Dihydrogen cyanide radical |
1.221 |
1 |
2 |
H2CN+ |
hydrocyanonium cation |
1.201 |
1 |
2 |
CNH2 |
Aminomethylidyne radical |
1.295 |
1 |
2 |
CNH2+ |
N-protonated hydrogen isocyanide |
1.244 |
1 |
2 |
HCNH |
methyleneazane |
1.214 |
1 |
2 |
HCNH+ |
N-protonated HCN |
1.132 |
1 |
2 |
CH2NH |
Methanimine |
1.269 |
1 |
2 |
CH2NH+ |
Methanimine cation |
1.225 |
1 |
2 |
CHNH2 |
aminomethylene |
1.311 |
1 |
2 |
CH2NH2+ |
methyleneamine cation |
1.271 |
1 |
2 |
CH3NH2 |
methyl amine |
1.464 |
1 |
2 |
CH3NH2+ |
methyl amine cation |
1.434 |
1 |
2 |
CH3NH3+ |
protonated methylamine |
1.506 |
1 |
2 |
NCN |
Cyanoimidogen |
1.217 |
1 |
2 |
|
|
1.217 |
1 |
3 |
LiCN |
lithium cyanide |
1.174 |
2 |
3 |
CNN |
Diazocarbene |
1.204 |
1 |
2 |
CN2 |
3H-Diazirin-3-ylidene |
1.384 |
1 |
2 |
|
|
1.384 |
1 |
3 |
NaCN |
Sodium Cyanide |
1.175 |
1 |
2 |
AlCN |
Aluminum monocyanide |
1.161 |
2 |
3 |
AlNC |
Aluminum isocyanide |
1.178 |
2 |
3 |
ZnCN |
Zinc monocyanide |
1.152 |
2 |
3 |
ZnNC |
Zinc isocyanide |
1.174 |
2 |
3 |
NCO |
isocyanato radical |
1.233 |
1 |
2 |
FCN |
Cyanogen fluoride |
1.152 |
1 |
3 |
CNF |
iso cyanogen fluoride |
1.170 |
1 |
2 |
BrCN |
Cyanogen bromide |
1.155 |
1 |
2 |
HCCN |
cyanomethylene |
1.159 |
2 |
3 |
HCNO |
fulminic acid |
1.153 |
2 |
3 |
HSCN |
thiocyanic acid |
1.156 |
2 |
3 |
HNCS |
Isothiocyanic acid |
1.197 |
1 |
2 |
HNCNH |
diiminomethane |
1.222 |
1 |
2 |
|
|
1.222 |
1 |
3 |
NH2CN |
cyanamide |
1.156 |
1 |
2 |
|
|
1.332 |
1 |
3 |
CH3CN |
Acetonitrile |
1.152 |
2 |
3 |
CH3CN+ |
Acetonitrile cation |
1.200 |
2 |
3 |
CHNCH2 |
2H-Azirine |
1.253 |
1 |
2 |
|
|
1.562 |
1 |
3 |
CHNHCH |
1H-Azirine |
1.512 |
1 |
2 |
|
|
1.512 |
1 |
3 |
NCNH3+ |
Cyanamide, protonated |
1.149 |
1 |
2 |
|
|
1.408 |
1 |
3 |
HNCNH2+ |
diiminomethane, protonated |
1.147 |
1 |
2 |
|
|
1.288 |
1 |
3 |
NH3CN+ |
cyanamide, amine protonated |
1.408 |
1 |
2 |
|
|
1.149 |
1 |
3 |
H2CCNH |
Ethenimine |
1.225 |
2 |
3 |
NH2CNH+ |
cyanamide, cn protonated |
1.145 |
1 |
2 |
|
|
1.289 |
1 |
3 |
H2CNCH |
methyleneaminomethylene |
1.274 |
1 |
2 |
|
|
1.219 |
2 |
3 |
CHONH2 |
formamide |
1.356 |
1 |
3 |
CH2NOH |
formaldoxime |
1.268 |
1 |
2 |
CH3NO |
nitrosomethane |
1.478 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.432 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.261 |
1 |
3 |
CHSNH2 |
thioformamide |
1.339 |
1 |
3 |
NHCHSH |
Methanimidothioic acid |
1.266 |
1 |
2 |
CH3CHN |
methylmethaniminyl radical |
1.226 |
1 |
3 |
CH2CHNH |
vinylazine |
1.299 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.291 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.291 |
1 |
3 |
CH3CHNH |
ethanimine |
1.269 |
2 |
3 |
NH2CH2OH |
aminomethanol |
1.438 |
1 |
2 |
NH2CH2NH2 |
diaminomethane |
1.458 |
1 |
2 |
|
|
1.458 |
1 |
3 |
C2H6N+ |
aziridine, protonated |
1.492 |
1 |
2 |
|
|
1.492 |
1 |
3 |
(CH3)2NH2+ |
dimethylammonium cation |
1.498 |
1 |
2 |
|
|
1.498 |
1 |
3 |
CH3CH2NH3+ |
ethylamine, protonated |
1.516 |
1 |
2 |
C2N2 |
Cyanogen |
1.153 |
1 |
3 |
|
|
1.153 |
2 |
4 |
HNCCNH |
Ethenediimine |
1.244 |
1 |
3 |
|
|
1.244 |
2 |
4 |
H2CNCN |
cyanamide, methylene |
1.273 |
1 |
2 |
|
|
1.156 |
3 |
4 |
|
|
1.357 |
2 |
3 |
C3H3N+ |
acrylonitrile cation |
1.152 |
1 |
2 |
CH3N3 |
methyl azide |
1.473 |
1 |
2 |
CH3NO2 |
Methane, nitro- |
1.486 |
1 |
2 |
HOCH2CN |
cyanomethanol |
1.152 |
2 |
7 |
NH2COOH |
Carbamic acid |
1.357 |
1 |
3 |
CH3NCO |
methylisocyante |
1.443 |
1 |
2 |
|
|
1.197 |
2 |
3 |
NH2CH2CN |
Aminoacetonitrile |
1.153 |
3 |
4 |
|
|
1.455 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.361 |
1 |
3 |
|
|
1.361 |
2 |
4 |
CH3NHN2+ |
methyl azide, protonated |
1.488 |
1 |
2 |
NH2CONH2 |
Urea |
1.382 |
1 |
3 |
|
|
1.382 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.517 |
1 |
3 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.303 |
1 |
3 |
C2H5CN |
ethyl cyanide |
1.153 |
3 |
4 |
CH5N3 |
Guanidine |
1.272 |
1 |
2 |
|
|
1.395 |
1 |
3 |
|
|
1.390 |
1 |
4 |
HCONHCH3 |
N-methylformamide |
1.351 |
1 |
3 |
|
|
1.451 |
3 |
4 |
CH5N2O+ |
urea, N-protonated |
1.548 |
1 |
3 |
|
|
1.331 |
1 |
4 |
CH3C(OH)=NH |
Ethaninidic acid |
1.265 |
1 |
3 |
H2NCOHNH2+ |
urea, protonated |
1.319 |
1 |
3 |
|
|
1.312 |
1 |
4 |
CH3CSNH2 |
Ethanethioamide |
1.343 |
1 |
4 |
CH3NNCH3 |
(Z)-1,2-Dimethyldiazene |
1.474 |
1 |
3 |
|
|
1.474 |
2 |
4 |
CH6N3+ |
guanidinium |
1.327 |
1 |
2 |
|
|
1.327 |
1 |
3 |
|
|
1.327 |
1 |
4 |
CH3NNCH3 |
(E)-1,2-Dimethyldiazene |
1.463 |
1 |
3 |
|
|
1.463 |
2 |
4 |
HOCH2CH2NH2 |
monoethanolamine |
1.467 |
1 |
2 |
NH2CH2CH2CH3 |
1-Propanamine |
1.462 |
3 |
4 |
C3H7NH3+ |
n-propylamine, protonated |
1.515 |
3 |
4 |
C2H2N2O |
Furazan |
1.299 |
2 |
4 |
|
|
1.299 |
3 |
5 |
C3H3NO |
Isoxazole |
1.303 |
2 |
4 |
C3H3NO |
Oxazole |
1.286 |
2 |
3 |
|
|
1.391 |
3 |
4 |
C3H4N2 |
1H-Imidazole |
1.306 |
2 |
4 |
|
|
1.380 |
4 |
5 |
|
|
1.360 |
1 |
2 |
|
|
1.377 |
1 |
3 |
C3H4N2 |
4H-Imidazole |
1.276 |
2 |
3 |
|
|
1.457 |
3 |
4 |
|
|
1.281 |
1 |
5 |
|
|
1.433 |
1 |
2 |
C4H4N- |
pyrrolide anion |
1.360 |
1 |
2 |
|
|
1.360 |
1 |
3 |
C4H4N |
pyrrolide radical |
1.334 |
1 |
2 |
|
|
1.334 |
1 |
3 |
C4H6N+ |
pyrrole, protonated |
1.477 |
1 |
2 |
|
|
1.477 |
1 |
3 |
C4H6N+ |
pyrrole, alpha-protonated |
1.459 |
1 |
2 |
|
|
1.293 |
1 |
3 |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
1.153 |
1 |
2 |
NH(C2H5)2 |
diethylamine |
1.457 |
1 |
2 |
|
|
1.457 |
1 |
3 |
C4H2N2 |
Fumaronitrile |
1.154 |
3 |
5 |
|
|
1.154 |
4 |
6 |
C5H6N+ |
Pyridinium |
1.343 |
1 |
2 |
|
|
1.343 |
1 |
3 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.379 |
1 |
3 |
|
|
1.379 |
1 |
4 |
|
|
1.454 |
3 |
5 |
|
|
1.454 |
4 |
6 |
CH(CN)3 |
tricyanomethane |
1.151 |
3 |
6 |
|
|
1.151 |
4 |
7 |
|
|
1.151 |
5 |
8 |
HN=C=C(CN)2 |
Dicyanoketenimine |
1.201 |
2 |
3 |
|
|
1.154 |
4 |
6 |
|
|
1.154 |
5 |
7 |