Geometry & MOs

Info

ID:	22082
PubChem CID:	595955
Reduced:	O2N3H5C7 (1)
Stoich.:	A2B3C5D7 (1)
Weight, g/mol:	163.038176
ΔH_f, kcal/mol:	53.33
Dipole, Da:	9.11
IP(EA), eV:	-9.52(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)[N+](=O)[O-])C#N

DOS

IR

Vibrations