Geometry & MOs

Info

ID:	246185
PubChem CID:	103048053
Reduced:	BrClOF2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	282.996697
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	2.17
IP(EA), eV:	-9.77(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-fluorophenyl)-1-(5-chloropyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CC(=O)C2=CC(=CC(=C2)Br)F)F

DOS

IR

Vibrations