Geometry & MOs

Info

ID:	246188
PubChem CID:	103048096
Reduced:	FNOCl2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	326.94618
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	1.87
IP(EA), eV:	-9.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CC(=O)C2=CC(=NC=C2)Cl)F

DOS

IR

Vibrations