Geometry & MOs

Info

ID:	376461
PubChem CID:	134222475
Reduced:	OF3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	322.136749
ΔH_f, kcal/mol:	-247.15
Dipole, Da:	3.62
IP(EA), eV:	-10.67(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1CCCCC1)C(C)(C(F)(F)F)O

DOS

IR

Vibrations