Geometry & MOs

Info

ID:	12316
PubChem CID:	134706
Reduced:	O3N4C10H10 (1)
Stoich.:	A3B4C10D10 (1)
Weight, g/mol:	234.07529
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	10.29
IP(EA), eV:	-9.29(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-oxo-3H-purin-9-yl)pentane-2,3-dione

Drug info:

PubChemData

Smile

CC(=O)C(=O)CCN1C=NC2=C1NC=NC2=O

DOS

IR

Vibrations