Geometry & MOs

Info

ID:

400732

PubChem CID:

135048905

Reduced:

BN2C8H12 (1)

Stoich.:

AB2C8D12 (1)

Weight, g/mol:

394.06573

ΔHf, kcal/mol:

32.66

Dipole, Da:

8.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.927351

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[BH2-](C#[N+]CC)[N+]1=CC=CC=C1

DOS

IR

Vibrations