Geometry & MOs

Info

ID:	162394
PubChem CID:	57394539
Reduced:	ClFO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	262.080536
ΔH_f, kcal/mol:	-118.17
Dipole, Da:	4.59
IP(EA), eV:	-9.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-hydroxyphenyl)-3-(4-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)CCC2=CC=C(C=C2)F)O.Cl

DOS

IR

Vibrations