Geometry & MOs

Info

ID:	6595
PubChem CID:	69160
Reduced:	O3N4C6H6 (1)
Stoich.:	A3B4C6D6 (1)
Weight, g/mol:	182.04399
ΔH_f, kcal/mol:	-102.71
Dipole, Da:	1.86
IP(EA), eV:	-9.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3,9-dihydropurine-2,6,8-trione

Drug info:

PubChemData

Smile

CN1C2=C(NC(=O)NC2=O)NC1=O

DOS

IR

Vibrations