Geometry & MOs

Info

ID:

182822

PubChem CID:

76941246

Reduced:

O3N5C12H18 (1)

Stoich.:

A3B5C12D18 (1)

Weight, g/mol:

252.109664

ΔHf, kcal/mol:

-58.94

Dipole, Da:

4.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.789446

Charge, e:

 1

Chem-info

IUPAC name:

1,3-dimethyl-8-[2-(methylamino)ethoxy]purin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(C)NCCOC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C

DOS

IR

Vibrations