Geometry & MOs

Info

ID:	320455
PubChem CID:	126661214
Reduced:	ClF3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	347.149699
ΔH_f, kcal/mol:	-167.57
Dipole, Da:	2.46
IP(EA), eV:	-9.48(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(3,4-difluorophenyl)-5-fluoro-2-methylphenyl]-2-methyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

C/C=C(/C(C)C)\C(=C(\C)/C(=C)C(F)(F)F)\Cl

DOS

IR

Vibrations