Geometry & MOs

Info

ID:

125894

PubChem CID:

50942665

Reduced:

ClON2H8C10 (1)

Stoich.:

ABC2D8E10 (1)

Weight, g/mol:

218.056566

ΔHf, kcal/mol:

49.06

Dipole, Da:

2.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.369511

Charge, e:

 1

Chem-info

IUPAC name:

(1E,3E)-2-hydroxy-4-(4-nitrophenyl)buta-1,3-diene-1-diazonium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations