Geometry & MOs

Info

ID:	293142
PubChem CID:	117374923
Reduced:	ClFO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	248.06155
ΔH_f, kcal/mol:	-170.82
Dipole, Da:	1.05
IP(EA), eV:	-8.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CO)C1=C(C(=CC(=C1F)Cl)OC)O

DOS

IR

Vibrations