Geometry & MOs

Info

ID:	152343
PubChem CID:	56311258
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	453.143089
ΔH_f, kcal/mol:	-128.05
Dipole, Da:	5.71
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations