Geometry & MOs

Info

ID:	152249
PubChem CID:	56311140
Reduced:	O2N3C27H31 (1)
Stoich.:	A2B3C27D31 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-38.48
Dipole, Da:	7.11
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC(C)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations