Geometry & MOs

Info

ID:	200788
PubChem CID:	79443953
Reduced:	SO5C15H22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	216.071721
ΔH_f, kcal/mol:	-209.83
Dipole, Da:	9.51
IP(EA), eV:	-9.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-6-fluorophenyl)-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(CO)(CO)C2CCS(=O)(=O)C2

DOS

IR

Vibrations