Geometry & MOs

Info

ID:	287073
PubChem CID:	104231752
Reduced:	BrO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	322.02046
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	4.09
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-bromophenoxy)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC2=CC=CC=C2Br)OC)O

DOS

IR

Vibrations