Geometry & MOs

Info

ID:	187812
PubChem CID:	77628541
Reduced:	N3O3C6H11 (1)
Stoich.:	A3B3C6D11 (1)
Weight, g/mol:	180.02834
ΔH_f, kcal/mol:	-140.72
Dipole, Da:	5.77
IP(EA), eV:	-10.87(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxypurine-2,6-dione

Drug info:

PubChemData

Smile

CCCOC1NC(=O)NC(=O)N1

DOS

IR

Vibrations