Geometry & MOs

Info

ID:	392743
PubChem CID:	135017832
Reduced:	MnO6C15F18H18 (1)
Stoich.:	AB6C15D18E18 (1)
Weight, g/mol:	212.027198
ΔH_f, kcal/mol:	-1204.45
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.952586
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol

Drug info:

PubChemData

Smile

C([C@H](C(F)(F)F)O)[C@H](C(F)(F)F)O.C([C@@H](C(F)(F)F)O)C(C(F)(F)F)O.C(C(C(F)(F)F)O)C(C(F)(F)F)O.[Mn]

DOS

IR

Vibrations