Geometry & MOs

Info

ID:	1962
PubChem CID:	5429
Reduced:	O2N4C7H8 (1)
Stoich.:	A2B4C7D8 (1)
Weight, g/mol:	180.064726
ΔH_f, kcal/mol:	-49.49
Dipole, Da:	4.66
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)NC(=O)N2C

DOS

IR

Vibrations