Geometry & MOs

Info

ID:	152941
PubChem CID:	56312036
Reduced:	O3N4C27H38 (1)
Stoich.:	A3B4C27D38 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-156.23
Dipole, Da:	4.79
IP(EA), eV:	-9.16(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations