Geometry & MOs

Info

ID:	152031
PubChem CID:	56310880
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	443.197569
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	6.45
IP(EA), eV:	-9.04(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations