Geometry & MOs

Info

ID:	152726
PubChem CID:	56311785
Reduced:	Cl2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	453.07776
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	2.37
IP(EA), eV:	-9.13(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations