Geometry & MOs

Info

ID:	152642
PubChem CID:	56311656
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	385.155705
ΔH_f, kcal/mol:	-72.36
Dipole, Da:	5.45
IP(EA), eV:	-9.05(0.14)
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]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations