Geometry & MOs

Info

ID:

400730

PubChem CID:

135048903

Reduced:

BN2H6C7 (1)

Stoich.:

AB2C6D7 (1)

Weight, g/mol:

234.112271

ΔHf, kcal/mol:

72.74

Dipole, Da:

5.02

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.776116

Charge, e:

0

Chem-info

IUPAC name:

ethylazaniumylidynemethyl(pyridin-1-ium-1-yl)boranuide;tetrafluoroborate

Drug info:

PubChemData

Smile

[B-](C#N)NC1=CC=CC=C1

DOS

IR

Vibrations