Geometry & MOs

Info

ID:	152643
PubChem CID:	56311657
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	453.07776
ΔH_f, kcal/mol:	-58.23
Dipole, Da:	2.22
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations