Geometry & MOs

Info

ID:	152842
PubChem CID:	56311919
Reduced:	FO2N3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-111.24
Dipole, Da:	6.46
IP(EA), eV:	-8.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC(C)C3=CC=C(C=C3)F

DOS

IR

Vibrations