Geometry & MOs

Info

ID:	152644
PubChem CID:	56311658
Reduced:	O2Cl3N3C21H22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	429.241627
ΔH_f, kcal/mol:	-71.18
Dipole, Da:	1.85
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations