Geometry & MOs

Info

ID:

57057

PubChem CID:

22395279

Reduced:

O4C19H29 (1)

Stoich.:

A4B19C29 (1)

Weight, g/mol:

417.33687

ΔHf, kcal/mol:

-141.58

Dipole, Da:

14.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.853733

Charge, e:

 -1

Chem-info

IUPAC name:

2-hydroxy-3-icosylbenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=C(C=CC(=C1O)O)C(=O)[O-]

DOS

IR

Vibrations