Geometry & MOs

Info

ID:	228961
PubChem CID:	87566438
Reduced:	N2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	311.032476
ΔH_f, kcal/mol:	83.97
Dipole, Da:	2.82
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-chloropyridin-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC/C=C/C#CCCN

DOS

IR

Vibrations