Geometry & MOs

Info

ID:	249619
PubChem CID:	103090891
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	246.066778
ΔH_f, kcal/mol:	-31.04
Dipole, Da:	4.41
IP(EA), eV:	-8.96(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C(\C)/C(=O)C)C

DOS

IR

Vibrations