Geometry & MOs

Info

ID:	246167
PubChem CID:	103047747
Reduced:	ClFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	408.8703
ΔH_f, kcal/mol:	-73.79
Dipole, Da:	2.78
IP(EA), eV:	-9.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-fluorophenyl)-1-(3,5-dibromopyridin-2-yl)ethanol

Drug info:

PubChemData

Smile

C1CC1C(CC2=C(C=CC(=C2)Cl)F)(CN)O

DOS

IR

Vibrations