Geometry & MOs

Info

ID:	206230
PubChem CID:	80222114
Reduced:	ClNOF3H9C13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	340.98182
ΔH_f, kcal/mol:	-159.77
Dipole, Da:	3.56
IP(EA), eV:	-10.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-methoxyphenyl)-1-(5-chloropyridin-2-yl)ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C2=NC=C(C=C2)Cl)O)C(F)(F)F

DOS

IR

Vibrations