Geometry & MOs

Info

ID:	20113
PubChem CID:	579520
Reduced:	ClFO3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	292.03025
ΔH_f, kcal/mol:	-130.21
Dipole, Da:	1.18
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-hydroxyphenyl)-3-(4-fluorophenyl)propane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)CC(=O)C2=C(C=CC(=C2)Cl)O)F

DOS

IR

Vibrations