Geometry & MOs

Info

ID:	405271
PubChem CID:	135073320
Reduced:	FOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	290.09185
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	3.43
IP(EA), eV:	-9.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenyl-1-[4-(trifluoromethyl)phenyl]but-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations