Geometry & MOs

Info

ID:

341276

PubChem CID:

127263711

Reduced:

BO2F3C5H7 (1)

Stoich.:

AB2C3D5E7 (1)

Weight, g/mol:

204.033561

ΔHf, kcal/mol:

-291.71

Dipole, Da:

11.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.786887

Charge, e:

 0

Chem-info

IUPAC name:

potassium;trifluoro-(3-oxocyclohexyl)boranuide

Drug info:

PubChemData

Smile

[B-](C1CC(=O)COC1)(F)(F)F

DOS

IR

Vibrations