Geometry & MOs

Info

ID:	185950
PubChem CID:	77373430
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	363.20323
ΔH_f, kcal/mol:	-201.32
Dipole, Da:	3.82
IP(EA), eV:	-9.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[3-(methoxymethoxy)cyclopentyl]-1,3-dipropylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCCC2C(=O)OC3N2C(=O)OC4=CC=CC=C34

DOS

IR

Vibrations