Geometry & MOs

Info

ID:

382314

PubChem CID:

134973387

Reduced:

OC10H17 (1)

Stoich.:

AB10C17 (1)

Weight, g/mol:

323.94947

ΔHf, kcal/mol:

-57.41

Dipole, Da:

3.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763259

Charge, e:

 0

Chem-info

IUPAC name:

5-ethoxy-1-hydroxy-1-oxo-1lambda5,2-benziodoxol-3-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC(=C(C1)[O-])C(C)C

DOS

IR

Vibrations