Geometry & MOs

Info

ID:	141976
PubChem CID:	52960338
Reduced:	ClO3N4H13C15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	431.240679
ΔH_f, kcal/mol:	-9.41
Dipole, Da:	7.3
IP(EA), eV:	-10.21(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[2-(diethylamino)ethylamino]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-9H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1CCl)/N=C\2/N=C3C=CC=CC3O2

DOS

IR

Vibrations