Geometry & MOs

Info

ID:	5706
PubChem CID:	13518
Reduced:	HOC3F6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	333.986317
ΔH_f, kcal/mol:	-699.45
Dipole, Da:	2.59
IP(EA), eV:	-12.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol

Drug info:

PubChemData

Smile

C(C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations