Geometry & MOs

Info

ID:	4722
PubChem CID:	11922
Reduced:	N2O2H4C7 (1)
Stoich.:	A2B2C4D7 (1)
Weight, g/mol:	148.027277
ΔH_f, kcal/mol:	56.71
Dipole, Da:	6.99
IP(EA), eV:	-10.96(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitrobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations