Geometry & MOs

Info

ID:	413024
PubChem CID:	135085968
Reduced:	OH14C17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	352.1075
ΔH_f, kcal/mol:	17.31
Dipole, Da:	1.78
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4,4-trifluoro-3-phenyl-1-(4-phenylphenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/2\C(=O)CC3=CC=CC=C32

DOS

IR

Vibrations