Geometry & MOs

Info

ID:

225020

PubChem CID:

85735575

Reduced:

N2O2C8H11 (1)

Stoich.:

A2B2C8D11 (1)

Weight, g/mol:

221.129003

ΔHf, kcal/mol:

9.91

Dipole, Da:

4.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766651

Charge, e:

 1

Chem-info

IUPAC name:

2-(1-cyclohexylbuta-2,3-dienoxy)-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

C=C=CCCCOC(=C[N+]#N)O

DOS

IR

Vibrations