Geometry & MOs

Info

ID:

15287

PubChem CID:

436142

Reduced:

INO3C9H9 (1)

Stoich.:

ABC3D9E9 (1)

Weight, g/mol:

305.96271

ΔHf, kcal/mol:

-68.71

Dipole, Da:

5.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.968528

Charge, e:

 1

Chem-info

IUPAC name:

3,6-dihydroxy-7-iodo-1-methyl-2,3-dihydroindol-1-ium-5-one

Drug info:

PubChemData

Smile

C[N+]1=C2C(=CC(=O)C(=C2I)O)C(C1)O

DOS

IR

Vibrations