Geometry & MOs

Info

ID:	60012
PubChem CID:	26664470
Reduced:	ClNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	329.081871
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	4.1
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CCCN2C(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations