Geometry & MOs

Info

ID:	4812
PubChem CID:	12079
Reduced:	N2O2H4C7 (1)
Stoich.:	A2B2C4D7 (1)
Weight, g/mol:	148.027277
ΔH_f, kcal/mol:	52.74
Dipole, Da:	4.47
IP(EA), eV:	-11.03(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitrobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations