Geometry & MOs

Info

ID:	13475
PubChem CID:	235291
Reduced:	O3N4C9H12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	224.09094
ΔH_f, kcal/mol:	-90.51
Dipole, Da:	5.36
IP(EA), eV:	-9.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COC

DOS

IR

Vibrations