Geometry & MOs

Info

ID:	153156
PubChem CID:	56312303
Reduced:	BrN2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	2.22
IP(EA), eV:	-9.27(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)Br

DOS

IR

Vibrations