Geometry & MOs

Info

ID:

169388

PubChem CID:

75098285

Reduced:

Cl2N6O8H17C22 (1)

Stoich.:

A2B6C8D17E22 (1)

Weight, g/mol:

356.09277

ΔHf, kcal/mol:

76.76

Dipole, Da:

10.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.059340

Charge, e:

 0

Chem-info

IUPAC name:

6-(aminomethylidene)-4-chlorocyclohexa-2,4-dien-1-one;3-hydroxy-N-methylnaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N(O)[O-])N(O)O)N2C=CC(=C3C=CN(C=C3)C4=C(C=C(C=C4)N([O-])[O-])[N+](=O)[O-])C=C2.[Cl-].[Cl-]

DOS

IR

Vibrations