Geometry & MOs

Info

ID:	184716
PubChem CID:	77196074
Reduced:	SN3O3C27H31 (1)
Stoich.:	AB3C3D27E31 (1)
Weight, g/mol:	278.1617
ΔH_f, kcal/mol:	-77.97
Dipole, Da:	7.09
IP(EA), eV:	-8.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-[2-(diethylamino)ethyl]-1,3-dimethylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)NCCC4=CC=C(C=C4)N

DOS

IR

Vibrations