Geometry & MOs

Info

ID:	372780
PubChem CID:	131304595
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	221.060742
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	1.87
IP(EA), eV:	-9.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chloropropanoyl)-2-methylphenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)C(C)Cl)CC#N

DOS

IR

Vibrations