Geometry & MOs

Info

ID:

51190

PubChem CID:

12013825

Reduced:

N2O2C8H13 (1)

Stoich.:

A2B2C8D13 (1)

Weight, g/mol:

216.089878

ΔHf, kcal/mol:

-22.33

Dipole, Da:

5.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763279

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-diazonio-1-[(E)-3-phenylbut-2-enoxy]ethenolate

Drug info:

PubChemData

Smile

CC(C)/C=C/CO/C(=C\[N+]#N)/O

DOS

IR

Vibrations