Geometry & MOs

Info

ID:	13222
PubChem CID:	223506
Reduced:	ClNOH10C15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	255.045092
ΔH_f, kcal/mol:	39.51
Dipole, Da:	5.09
IP(EA), eV:	-9.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-oxo-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations