Geometry & MOs

Info

ID:	151814
PubChem CID:	56310625
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-132.16
Dipole, Da:	7.16
IP(EA), eV:	-8.48(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-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)NCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations