Geometry & MOs

Info

ID:	287109
PubChem CID:	104231788
Reduced:	BrFO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	340.01104
ΔH_f, kcal/mol:	-121.0
Dipole, Da:	1.38
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-bromo-4-fluorophenoxy)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC2=C(C=C(C=C2)F)Br)OC)O

DOS

IR

Vibrations