Geometry & MOs

Info

ID:

398043

PubChem CID:

135031465

Reduced:

BKF3H4C6 (1)

Stoich.:

ABC3D4E6 (1)

Weight, g/mol:

144.035815

ΔHf, kcal/mol:

-260.09

Dipole, Da:

10.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.929209

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexatrienyl(trifluoro)boranuide

Drug info:

PubChemData

Smile

[B-](C1=CC=[C+]C=C1)(F)(F)F.[K+]

DOS

IR

Vibrations