Geometry & MOs

Info

ID:	287108
PubChem CID:	104231787
Reduced:	ClO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	340.01104
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	4.54
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC=CC(=C2[C@@H](C)O)OC)C)Cl

DOS

IR

Vibrations