Geometry & MOs

Info

ID:	13309
PubChem CID:	225223
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	5.37
IP(EA), eV:	-8.81(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-trimethyl-8-(2-methylpropoxy)purine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)COC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations