Geometry & MOs

Info

ID:	152357
PubChem CID:	56311272
Reduced:	O3N4C27H34 (1)
Stoich.:	A3B4C27D34 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-107.64
Dipole, Da:	6.5
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)ethyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

DOS

IR

Vibrations