Geometry & MOs

Info

ID:

14833

PubChem CID:

422074

Reduced:

N2O3C20H33 (1)

Stoich.:

A2B3C20D33 (1)

Weight, g/mol:

349.249118

ΔHf, kcal/mol:

-147.07

Dipole, Da:

3.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.943378

Charge, e:

 1

Chem-info

IUPAC name:

dodecyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations