Geometry & MOs

Info

ID:	396256
PubChem CID:	135027877
Reduced:	SO3C5H8 (1)
Stoich.:	AB3C5D8 (1)
Weight, g/mol:	194.104185
ΔH_f, kcal/mol:	-117.22
Dipole, Da:	3.89
IP(EA), eV:	-8.95(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(6-amino-9-methylpurin-1-ium-1-yl)ethanol

Drug info:

PubChemData

Smile

[13CH3]SCCC(=O)C(=O)O

DOS

IR

Vibrations