Geometry & MOs

Info

ID:	4648
PubChem CID:	11804
Reduced:	O3N4C6H6 (1)
Stoich.:	A3B4C6D6 (1)
Weight, g/mol:	182.04399
ΔH_f, kcal/mol:	-101.43
Dipole, Da:	3.98
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)NC(=O)N2

DOS

IR

Vibrations