Geometry & MOs

Info

ID:	10030
PubChem CID:	96530
Reduced:	SN4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	222.093918
ΔH_f, kcal/mol:	53.71
Dipole, Da:	3.01
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-butyl-6-methylsulfanylpurine

Drug info:

PubChemData

Smile

CCCCN1C=NC2=C1N=CN=C2SC

DOS

IR

Vibrations