Geometry & MOs

Info

ID:	152823
PubChem CID:	56311899
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-76.05
Dipole, Da:	3.5
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(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)CC3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations