Geometry & MOs

Info

ID:	4397
PubChem CID:	11347
Reduced:	O3N4C10H14 (1)
Stoich.:	A3B4C10D14 (1)
Weight, g/mol:	238.10659
ΔH_f, kcal/mol:	-94.55
Dipole, Da:	5.2
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations