Geometry & MOs

Info

ID:	191999
PubChem CID:	78212284
Reduced:	SO2N3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	375.178078
ΔH_f, kcal/mol:	-7.84
Dipole, Da:	9.3
IP(EA), eV:	-9.24(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=C2NC(=S)N=N2)C(C1)C(=O)O

DOS

IR

Vibrations