Geometry & MOs

Info

ID:	249603
PubChem CID:	103090777
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	246.066778
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	1.74
IP(EA), eV:	-9.8(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=CC1CCOCC1)C(=O)C

DOS

IR

Vibrations