Geometry & MOs

Info

ID:	14335
PubChem CID:	409635
Reduced:	OSN4C7H8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	196.041882
ΔH_f, kcal/mol:	34.51
Dipole, Da:	5.13
IP(EA), eV:	-9.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-2-methylsulfanyl-5,9-dihydropurin-6-one

Drug info:

PubChemData

Smile

CC1=NC2C(=NC(=NC2=O)SC)N1

DOS

IR

Vibrations