Geometry & MOs

Info

ID:

57053

PubChem CID:

22395271

Reduced:

O4C19H23 (1)

Stoich.:

A4B19C23 (1)

Weight, g/mol:

329.175284

ΔHf, kcal/mol:

-150.8

Dipole, Da:

6.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.389404

Charge, e:

 -1

Chem-info

IUPAC name:

2,3-dihydroxy-4-nonylnaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)[O-])O)O

DOS

IR

Vibrations