Geometry & MOs

Info

ID:

408764

PubChem CID:

135081532

Reduced:

N2O2C8H11 (1)

Stoich.:

A2B2C8D11 (1)

Weight, g/mol:

214.110613

ΔHf, kcal/mol:

-6.57

Dipole, Da:

5.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.821027

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,6R,7S)-9-diazo-10,11-dimethyltricyclo[5.2.2.02,6]undeca-4,10-dien-8-one

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@H]2C[C@@H]1C(=C2O)[N+]#N

DOS

IR

Vibrations