Geometry & MOs

Info

ID:	89579
PubChem CID:	49962828
Reduced:	BrO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	340.01104
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	5.7
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2,4-dimethoxyphenyl)-(4-fluorophenyl)methanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(C2=CC=C(C=C2)OC3=CC=CC=C3)O)Br)OC

DOS

IR

Vibrations