Geometry & MOs

Info

ID:

385515

PubChem CID:

134979281

Reduced:

BN3C9H13 (1)

Stoich.:

AB3C9D13 (1)

Weight, g/mol:

268.257361

ΔHf, kcal/mol:

39.23

Dipole, Da:

10.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767388

Charge, e:

 0

Chem-info

IUPAC name:

dihexoxy(2-methylprop-2-enyl)borane

Drug info:

PubChemData

Smile

[B-](C#N)(C#N)[N+]12CCC(CC1)CC2

DOS

IR

Vibrations