Geometry & MOs

Info

ID:

400654

PubChem CID:

135048642

Reduced:

BNPO3C9H22 (1)

Stoich.:

ABCD3E9F22 (1)

Weight, g/mol:

274.108268

ΔHf, kcal/mol:

-162.27

Dipole, Da:

1.12

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.757460

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[BH2-](C#[N+]CC)[P+](OCC)(OCC)OCC

DOS

IR

Vibrations