Geometry & MOs

Info

ID:	22048
PubChem CID:	595901
Reduced:	O2N3H5C7 (1)
Stoich.:	A2B3C5D7 (1)
Weight, g/mol:	163.038176
ΔH_f, kcal/mol:	43.38
Dipole, Da:	6.69
IP(EA), eV:	-9.7(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)[N+](=O)[O-])N

DOS

IR

Vibrations