Geometry & MOs

Info

ID:	152032
PubChem CID:	56310881
Reduced:	ClN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	2.05
IP(EA), eV:	-8.46(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC

DOS

IR

Vibrations