Geometry & MOs

Info

ID:	170164
PubChem CID:	75205090
Reduced:	F2N2O2H20C21 (1)
Stoich.:	A2B2C2D20E21 (1)
Weight, g/mol:	443.182062
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	1.47
IP(EA), eV:	-9.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)NC(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3

DOS

IR

Vibrations