Geometry & MOs

Info

ID:	192004
PubChem CID:	78212955
Reduced:	SN4O4C16H20 (1)
Stoich.:	AB4C4D16E20 (1)
Weight, g/mol:	388.198479
ΔH_f, kcal/mol:	-107.46
Dipole, Da:	2.44
IP(EA), eV:	-9.67(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(ethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)SCC(CO)O)CC3=CC=CC=C3

DOS

IR

Vibrations