Geometry & MOs

Info

ID:	413025
PubChem CID:	135085969
Reduced:	OF3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	306.086764
ΔH_f, kcal/mol:	-106.68
Dipole, Da:	4.3
IP(EA), eV:	-9.58(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4,4-trifluoro-1-(2-methoxyphenyl)-3-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=C(\C3=CC=CC=C3)/C(F)(F)F

DOS

IR

Vibrations