Geometry & MOs

Info

ID:	21152
PubChem CID:	587352
Reduced:	ClNOH8C10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	193.029442
ΔH_f, kcal/mol:	1.85
Dipole, Da:	2.8
IP(EA), eV:	-10.15(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-4-oxobutanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CCC#N)Cl

DOS

IR

Vibrations