Geometry & MOs

Info

ID:

51192

PubChem CID:

12013827

Reduced:

N2O2C12H13 (1)

Stoich.:

A2B2C12D13 (1)

Weight, g/mol:

279.113353

ΔHf, kcal/mol:

14.55

Dipole, Da:

4.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.880318

Charge, e:

 1

Chem-info

IUPAC name:

(E)-2-(3,3-diphenylprop-2-enoxy)-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

C/C(=C\CO/C(=C/[N+]#N)/O)/C1=CC=CC=C1

DOS

IR

Vibrations