Geometry & MOs

Info

ID:	246183
PubChem CID:	103047954
Reduced:	ClFO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	314.007677
ΔH_f, kcal/mol:	-113.24
Dipole, Da:	1.72
IP(EA), eV:	-9.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-fluorophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-one

Drug info:

PubChemData

Smile

COCC(=O)CC1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations