Geometry & MOs

Info

ID:

31167

PubChem CID:

854934

Reduced:

N2C11H13 (1)

Stoich.:

A2B11C13 (1)

Weight, g/mol:

284.068473

ΔHf, kcal/mol:

36.07

Dipole, Da:

3.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.977623

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-2-(2-hydroxy-5-methoxyphenyl)indene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=[N+]2C=C1)C)C

DOS

IR

Vibrations