Geometry & MOs

Info

ID:

398261

PubChem CID:

135032570

Reduced:

O3C8H9 (1)

Stoich.:

A3B8C9 (1)

Weight, g/mol:

279.110673

ΔHf, kcal/mol:

-34.49

Dipole, Da:

2.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.869801

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-(5-acetylpyridin-3-yl)propanedioate

Drug info:

PubChemData

Smile

COC1(C=C[C+]=CC1=O)OC

DOS

IR

Vibrations