Geometry & MOs

Info

ID:

177519

PubChem CID:

76196409

Reduced:

CoN2O3H10C13 (1)

Stoich.:

AB2C3D10E13 (1)

Weight, g/mol:

206.141913

ΔHf, kcal/mol:

46.22

Dipole, Da:

18.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.007297

Charge, e:

 0

Chem-info

IUPAC name:

5-but-2-en-2-yl-2-(2-methylpropyl)-2H-pyrazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC=C2C=CC=CC2=O)[N+](=O)[O-].[Co]

DOS

IR

Vibrations