Geometry & MOs

Info

ID:	5748
PubChem CID:	13655
Reduced:	ClN2O2H3C7 (1)
Stoich.:	AB2C2D3E7 (1)
Weight, g/mol:	181.988305
ΔH_f, kcal/mol:	47.44
Dipole, Da:	4.25
IP(EA), eV:	-10.64(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations