Geometry & MOs

Info

ID:	152560
PubChem CID:	56311516
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	433.197712
ΔH_f, kcal/mol:	-127.1
Dipole, Da:	5.07
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations