Geometry & MOs

Info

ID:	273822
PubChem CID:	103805234
Reduced:	FOCl2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	276.071721
ΔH_f, kcal/mol:	-55.37
Dipole, Da:	3.15
IP(EA), eV:	-9.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations