Geometry & MOs

Info

ID:

50538

PubChem CID:

12013084

Reduced:

BNC2H5 (3)

Stoich.:

ABC2D5 (3)

Weight, g/mol:

204.201463

ΔHf, kcal/mol:

-36.51

Dipole, Da:

0.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.491247

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]1N([B]N([B]N1CC)CC)CC

DOS

IR

Vibrations