Geometry & MOs

Info

ID:	161838
PubChem CID:	57392814
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	296.041564
ΔH_f, kcal/mol:	-180.46
Dipole, Da:	2.13
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(5-fluoro-2-hydroxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)C2=CC(=C(C(=C2)OC)O)O

DOS

IR

Vibrations