Geometry & MOs

Info

ID:	11166
PubChem CID:	111545
Reduced:	NaO2H3N4C5 (1)
Stoich.:	AB2C3D4E5 (1)
Weight, g/mol:	174.01537
ΔH_f, kcal/mol:	-84.44
Dipole, Da:	7.6
IP(EA), eV:	-8.5(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-oxo-3,7-dihydropurin-2-olate

Drug info:

PubChemData

Smile

C1=NC2=C(N1)C(=O)N=C(N2)[O-].[Na+]

DOS

IR

Vibrations