Geometry & MOs

Info

ID:	12426
PubChem CID:	137469
Reduced:	OH5F6C9 (2)
Stoich.:	AB5C6D9 (2)
Weight, g/mol:	486.048918
ΔH_f, kcal/mol:	-670.52
Dipole, Da:	1.03
IP(EA), eV:	-10.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations