Geometry & MOs

Info

ID:	414182
PubChem CID:	135087138
Reduced:	NO2H9C14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	294.066778
ΔH_f, kcal/mol:	32.22
Dipole, Da:	2.16
IP(EA), eV:	-9.82(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C(=C/C2=COC=C2)/C#N

DOS

IR

Vibrations