Geometry & MOs

Info

ID:

144667

PubChem CID:

53395446

Reduced:

MgO2F3H4C5 (1)

Stoich.:

AB2C3D4E5 (1)

Weight, g/mol:

289.90272

ΔHf, kcal/mol:

-248.79

Dipole, Da:

5.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752629

Charge, e:

 0

Chem-info

IUPAC name:

2,3,3,4,4,4-hexafluoro-1-iodobut-1-ene

Drug info:

PubChemData

Smile

CC(=O)C=C(C(F)(F)F)[O-].[Mg+2]

DOS

IR

Vibrations