Geometry & MOs

Info

ID:

400749

PubChem CID:

135048954

Reduced:

BC14H26 (1)

Stoich.:

AB14C26 (1)

Weight, g/mol:

214.202168

ΔHf, kcal/mol:

-16.47

Dipole, Da:

0.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751102

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B]([C@@H]1CCCC[C@H]1C)C2CCCC[C@@H]2C

DOS

IR

Vibrations