Geometry & MOs

Info

ID:	5351
PubChem CID:	13015
Reduced:	ClNH4C7 (1)
Stoich.:	ABC4D7 (1)
Weight, g/mol:	137.003227
ΔH_f, kcal/mol:	46.31
Dipole, Da:	3.38
IP(EA), eV:	-10.07(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chlorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C#N

DOS

IR

Vibrations