Geometry & MOs

Info

ID:	161839
PubChem CID:	57392817
Reduced:	ClF2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	280.066636
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	2.01
IP(EA), eV:	-9.37(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2-hydroxyphenyl)-3-phenylpropan-1-one;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations