Geometry & MOs

Info

ID:	320440
PubChem CID:	126661008
Reduced:	NC10H13 (1)
Stoich.:	AB10C13 (1)
Weight, g/mol:	334.093599
ΔH_f, kcal/mol:	30.34
Dipole, Da:	4.17
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[3-(4-chloro-3-fluorophenyl)-5-fluoro-2-methylphenyl]-3-methylpent-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CCCC(=C1)C#N

DOS

IR

Vibrations