Geometry & MOs

Info

ID:

220277

PubChem CID:

85177217

Reduced:

N2O2C13H25 (1)

Stoich.:

A2B2C13D25 (1)

Weight, g/mol:

240.162649

ΔHf, kcal/mol:

-73.79

Dipole, Da:

5.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.781104

Charge, e:

 0

Chem-info

IUPAC name:

2,2,6-trimethyltricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCCC(=C(O)OCC)[N+]#N

DOS

IR

Vibrations