Geometry & MOs

Info

ID:	4361
PubChem CID:	11286
Reduced:	O3N4C9H12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	224.09094
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	4.53
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations