Geometry & MOs

Info

ID:	320466
PubChem CID:	126661305
Reduced:	NOF4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	350.064049
ΔH_f, kcal/mol:	-205.23
Dipole, Da:	4.66
IP(EA), eV:	-9.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[3-(3,4-dichlorophenyl)-5-fluoro-2-methylphenyl]-3-methylpent-3-en-2-one

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=CC(=C(C(=C2)F)F)F)F)/C

DOS

IR

Vibrations