Geometry & MOs

Info

ID:	152358
PubChem CID:	56311273
Reduced:	ClO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	419.182062
ΔH_f, kcal/mol:	-67.87
Dipole, Da:	1.52
IP(EA), eV:	-9.09(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC(C)C3=CC=CC=C3Cl

DOS

IR

Vibrations