Geometry & MOs

Info

ID:

48585

PubChem CID:

11108721

Reduced:

N2O6C12H13 (1)

Stoich.:

A2B6C12D13 (1)

Weight, g/mol:

280.236231

ΔHf, kcal/mol:

-148.75

Dipole, Da:

6.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.178369

Charge, e:

 0

Chem-info

IUPAC name:

dicyclohexyl-[(Z)-2-phenylethenyl]borane

Drug info:

PubChemData

Smile

CO/C(=C\1/C=C(C(=CC12OCCO2)C(=O)OC)[N+]#N)/O

DOS

IR

Vibrations