Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
NH- |
Imidogen anion |
1.156 |
1 |
2 |
NH |
Imidogen |
1.121 |
1 |
2 |
NH+ |
imidogen cation |
1.186 |
1 |
2 |
NH2- |
amino anion |
1.116 |
1 |
2 |
|
|
1.116 |
1 |
3 |
NH2 |
Amino radical |
1.096 |
1 |
2 |
|
|
1.096 |
1 |
3 |
NH2+ |
Amino cation |
1.105 |
1 |
2 |
|
|
1.105 |
1 |
3 |
ND2 |
Amidogen-d2 |
1.096 |
1 |
2 |
|
|
1.096 |
1 |
3 |
NH3- |
Ammonia anion |
1.316 |
1 |
2 |
|
|
1.316 |
1 |
3 |
|
|
1.316 |
1 |
4 |
NH3 |
Ammonia |
1.064 |
1 |
2 |
|
|
1.064 |
1 |
3 |
|
|
1.064 |
1 |
4 |
NH3+ |
ammonia cation |
1.077 |
1 |
2 |
|
|
1.077 |
1 |
3 |
|
|
1.077 |
1 |
4 |
ND3 |
Ammonia-d3 |
1.064 |
1 |
2 |
|
|
1.064 |
1 |
3 |
|
|
1.064 |
1 |
4 |
NH4+ |
ammonium cation |
1.064 |
1 |
2 |
|
|
1.064 |
1 |
3 |
|
|
1.064 |
1 |
4 |
|
|
1.064 |
1 |
5 |
HNC |
hydrogen isocyanide |
1.043 |
2 |
3 |
NNH |
Dinitrogen monohydride |
1.108 |
2 |
3 |
NNH+ |
Dinitrogen monohydride cation |
1.107 |
2 |
3 |
HNB |
hydrogen nitrogen boron |
1.034 |
1 |
3 |
HNO |
Nitrosyl hydride |
1.146 |
1 |
2 |
HNO+ |
Nitrosyl hydride cation |
1.145 |
1 |
2 |
HNS- |
Sulfur imide anion |
1.116 |
2 |
3 |
CNH2 |
Aminomethylidyne radical |
1.065 |
2 |
3 |
|
|
1.065 |
2 |
4 |
CNH2+ |
N-protonated hydrogen isocyanide |
1.080 |
2 |
3 |
|
|
1.080 |
2 |
4 |
HBNH |
Boranimine |
1.033 |
2 |
4 |
N2H2 |
(Z)-Diazene |
1.106 |
1 |
3 |
|
|
1.106 |
2 |
4 |
N2H2 |
(E)-diazene |
1.100 |
1 |
3 |
|
|
1.100 |
2 |
4 |
N2H2+ |
trans-diazene cation |
1.109 |
1 |
3 |
|
|
1.109 |
2 |
4 |
HCNH |
methyleneazane |
1.074 |
2 |
4 |
HCNH+ |
N-protonated HCN |
1.073 |
2 |
4 |
H2NO |
nitroxide |
1.071 |
1 |
3 |
|
|
1.071 |
1 |
4 |
NH2F |
monofluoroamine |
1.091 |
1 |
3 |
|
|
1.091 |
1 |
4 |
CH2NH |
Methanimine |
1.082 |
2 |
5 |
NH2OH |
hydroxylamine |
1.081 |
1 |
4 |
|
|
1.081 |
1 |
5 |
NH3O |
Ammonia Oxide |
1.138 |
1 |
3 |
|
|
1.138 |
1 |
4 |
|
|
1.138 |
1 |
5 |
CH2NH2+ |
methyleneamine cation |
1.064 |
2 |
5 |
|
|
1.064 |
2 |
6 |
N2H5+ |
protonated hydrazine |
1.078 |
1 |
3 |
|
|
1.069 |
1 |
4 |
|
|
1.069 |
1 |
5 |
|
|
1.078 |
2 |
6 |
|
|
1.078 |
2 |
7 |
BH3NH3 |
borane ammonia |
1.057 |
2 |
6 |
|
|
1.057 |
2 |
7 |
|
|
1.057 |
2 |
8 |
CH3NH3 |
methyl ammonium radical |
1.059 |
2 |
6 |
|
|
1.059 |
2 |
7 |
|
|
1.059 |
2 |
8 |
CH3NH3+ |
protonated methylamine |
1.066 |
2 |
6 |
|
|
1.066 |
2 |
7 |
|
|
1.066 |
2 |
8 |
HN3 |
hydrogen azide |
1.082 |
1 |
4 |
HNNO+ |
Nitrous oxide, N-protonated |
1.102 |
1 |
4 |
HNCNH |
diiminomethane |
1.064 |
2 |
4 |
|
|
1.064 |
3 |
5 |
NH2CN |
cyanamide |
1.038 |
3 |
4 |
|
|
1.038 |
3 |
5 |
NH2NO |
Nitrosamide |
1.060 |
3 |
4 |
|
|
1.054 |
3 |
5 |
NCNH3+ |
Cyanamide, protonated |
1.076 |
3 |
4 |
|
|
1.076 |
3 |
5 |
|
|
1.076 |
3 |
6 |
HNCNH2+ |
diiminomethane, protonated |
1.068 |
2 |
4 |
|
|
1.058 |
3 |
5 |
|
|
1.058 |
3 |
6 |
H2CCNH |
Ethenimine |
1.075 |
3 |
6 |
HCCNH2 |
Ethynamine |
1.050 |
3 |
5 |
|
|
1.050 |
3 |
6 |
CNOH3 |
1,2-oxaziridine |
1.099 |
2 |
6 |
HOCHNH |
hydroxymethylimine |
1.072 |
3 |
6 |
CH2CHNH |
vinylazine |
1.088 |
3 |
7 |
H2CONH2+ |
protonated formamide |
1.054 |
3 |
5 |
|
|
1.054 |
3 |
6 |
CH2CHNH2 |
aminoethene |
1.048 |
3 |
7 |
|
|
1.047 |
3 |
8 |
CH3CHNH |
ethanimine |
1.083 |
3 |
8 |
NH2CH2NH2 |
diaminomethane |
1.064 |
2 |
6 |
|
|
1.064 |
2 |
7 |
|
|
1.064 |
3 |
8 |
|
|
1.064 |
3 |
9 |
C2H5NH+ |
Protonated Aziridine |
1.526 |
1 |
4 |
|
|
1.526 |
1 |
5 |
C2H6N+ |
aziridine, protonated |
1.060 |
1 |
4 |
|
|
1.060 |
1 |
5 |
(CH3)2NH2+ |
dimethylammonium cation |
1.067 |
1 |
4 |
|
|
1.067 |
1 |
5 |
CH3CH2NH3+ |
ethylamine, protonated |
1.065 |
1 |
4 |
|
|
1.065 |
1 |
5 |
|
|
1.065 |
1 |
6 |
NF3H+ |
protonated nitrogen trifluoride |
1.417 |
1 |
5 |
NH2NO2 |
nitramide |
1.072 |
1 |
5 |
|
|
1.072 |
1 |
6 |
NH2COOH |
Carbamic acid |
1.045 |
3 |
5 |
|
|
1.046 |
3 |
6 |
NH2CH2CN |
Aminoacetonitrile |
1.063 |
1 |
5 |
|
|
1.063 |
1 |
6 |
NH2CCNH2 |
Diaminoacetylene |
1.052 |
3 |
5 |
|
|
1.052 |
3 |
6 |
|
|
1.052 |
4 |
7 |
|
|
1.052 |
4 |
8 |
CH3NHN2+ |
methyl azide, protonated |
1.067 |
2 |
8 |
NH3COOH+ |
protonated Carbamic acid |
1.064 |
3 |
5 |
|
|
1.064 |
3 |
6 |
|
|
1.064 |
3 |
8 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.047 |
3 |
5 |
|
|
1.049 |
3 |
6 |
CH5N2O+ |
urea, N-protonated |
1.062 |
3 |
5 |
|
|
1.063 |
3 |
6 |
|
|
1.063 |
3 |
9 |
|
|
1.046 |
4 |
7 |
|
|
1.044 |
4 |
8 |
H2NCOHNH2+ |
urea, protonated |
1.045 |
3 |
6 |
|
|
1.045 |
3 |
7 |
|
|
1.046 |
4 |
8 |
|
|
1.044 |
4 |
9 |
CH6N3+ |
guanidinium |
1.042 |
2 |
5 |
|
|
1.042 |
2 |
6 |
|
|
1.042 |
3 |
7 |
|
|
1.042 |
3 |
8 |
|
|
1.042 |
4 |
9 |
|
|
1.042 |
4 |
10 |
C3H7N |
Cyclopropylamine |
1.062 |
3 |
6 |
|
|
1.062 |
3 |
7 |
CH7N3 |
triaminomethane |
1.063 |
3 |
6 |
|
|
1.066 |
3 |
9 |
|
|
1.063 |
4 |
7 |
|
|
1.066 |
4 |
10 |
|
|
1.063 |
5 |
8 |
|
|
1.066 |
5 |
11 |
CH3NHNHCH3 |
dimethyl hydrazine |
1.067 |
1 |
5 |
|
|
1.067 |
2 |
6 |
C3H7NH3+ |
n-propylamine, protonated |
1.065 |
4 |
12 |
|
|
1.065 |
4 |
13 |
|
|
1.065 |
4 |
14 |
(CH3)3NH+ |
protonated trimethyl amine |
1.529 |
1 |
5 |
NH3BF3 |
Amminetrifluoroboron |
1.055 |
1 |
6 |
|
|
1.055 |
1 |
7 |
|
|
1.055 |
1 |
8 |
CH3SO2NH2 |
methanesulfonamide |
1.082 |
3 |
9 |
|
|
1.082 |
3 |
10 |
C4H6N+ |
pyrrole, protonated |
1.072 |
1 |
6 |
|
|
1.072 |
1 |
7 |
C4H6N+ |
pyrrole, beta-protonated |
1.061 |
1 |
6 |
C4H6N+ |
pyrrole, alpha-protonated |
1.057 |
1 |
6 |
C2H6N2O |
Urea, methyl- |
1.046 |
5 |
6 |
|
|
1.050 |
8 |
10 |
|
|
1.049 |
9 |
10 |
C4H9N |
Cyclobutylamine |
1.064 |
1 |
2 |
|
|
1.064 |
1 |
3 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
1.063 |
1 |
2 |
|
|
1.063 |
1 |
3 |
CH3N5 |
5-Aminotetrazole |
1.051 |
2 |
3 |
|
|
1.049 |
7 |
9 |
|
|
1.048 |
8 |
9 |
C2H3NO3 |
Oxamic acid |
1.042 |
6 |
7 |
|
|
1.044 |
6 |
8 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
1.053 |
7 |
10 |
C2H4N2O2 |
Oxalamide |
1.045 |
5 |
7 |
|
|
1.218 |
5 |
8 |
|
|
1.045 |
6 |
9 |
|
|
1.218 |
6 |
10 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
1.047 |
5 |
6 |
B3N3H6 |
borazine |
1.045 |
1 |
7 |
|
|
1.045 |
2 |
8 |
|
|
1.045 |
3 |
9 |
C5H6N+ |
Pyridinium |
1.059 |
1 |
7 |
CH6N4S |
Carbonothioic dihydrazide |
1.105 |
3 |
11 |
|
|
1.070 |
4 |
9 |
|
|
1.075 |
4 |
10 |
|
|
1.065 |
5 |
12 |
|
|
1.064 |
6 |
7 |
|
|
1.062 |
6 |
8 |
C4H7NO |
2-Pyrrolidinone |
1.044 |
1 |
7 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
1.052 |
1 |
6 |
|
|
1.053 |
5 |
6 |
NH2CONHC2H5 |
Urea, ethyl- |
1.048 |
8 |
9 |
|
|
1.053 |
10 |
11 |
|
|
1.053 |
10 |
12 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
1.064 |
14 |
15 |
C4H9NO |
Butanamide |
1.042 |
11 |
12 |
|
|
1.042 |
11 |
13 |
C4H9NO |
Propanamide, 2-methyl- |
1.043 |
10 |
11 |
|
|
1.043 |
10 |
12 |
C5H11N |
Cyclopentanamine |
1.064 |
1 |
4 |
|
|
1.064 |
1 |
5 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
1.063 |
4 |
5 |
|
|
1.063 |
4 |
6 |
|
|
1.065 |
7 |
8 |
|
|
1.065 |
7 |
9 |
C4H12N2 |
1,2-Butanediamine |
1.091 |
1 |
2 |
|
|
1.063 |
1 |
3 |
|
|
1.058 |
8 |
9 |
|
|
1.057 |
8 |
10 |
C5H5NO |
4(1H)-Pryidinone |
1.044 |
1 |
12 |
C5H5NO |
2(1H)-Pyridinone |
1.050 |
1 |
12 |