Geometry & MOs

Info

ID:	246187
PubChem CID:	103048095
Reduced:	ClF2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	282.996697
ΔH_f, kcal/mol:	-133.32
Dipole, Da:	5.73
IP(EA), eV:	-9.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-fluorophenyl)-1-(2-chloropyridin-4-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(=O)CC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations