Geometry & MOs

Info

ID:	293141
PubChem CID:	117374906
Reduced:	ClFO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	248.06155
ΔH_f, kcal/mol:	-163.98
Dipole, Da:	4.53
IP(EA), eV:	-8.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)CCCO)F)Cl)OC

DOS

IR

Vibrations