Geometry & MOs

Info

ID:	13384
PubChem CID:	228444
Reduced:	ClNH8C13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	213.034527
ΔH_f, kcal/mol:	70.26
Dipole, Da:	5.49
IP(EA), eV:	-9.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-phenylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations