Geometry & MOs

Info

ID:	8755
PubChem CID:	81053
Reduced:	ClN2O2H3C7 (1)
Stoich.:	AB2C2D3E7 (1)
Weight, g/mol:	181.988305
ΔH_f, kcal/mol:	50.63
Dipole, Da:	6.76
IP(EA), eV:	-10.62(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-nitrobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations