Geometry & MOs

Info

ID:	153033
PubChem CID:	56312149
Reduced:	ClO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	463.06622
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	2.81
IP(EA), eV:	-8.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations