Geometry & MOs

Info

ID:	6029
PubChem CID:	14314
Reduced:	SN4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	180.046967
ΔH_f, kcal/mol:	71.76
Dipole, Da:	4.92
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-6-methylsulfanylpurine

Drug info:

PubChemData

Smile

CN1C=NC2=C1N=CN=C2SC

DOS

IR

Vibrations