Geometry & MOs

Info

ID:	4818
PubChem CID:	12090
Reduced:	N2O2H4C7 (1)
Stoich.:	A2B2C4D7 (1)
Weight, g/mol:	148.027277
ΔH_f, kcal/mol:	52.75
Dipole, Da:	1.37
IP(EA), eV:	-11.14(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitrobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations