Geometry & MOs

Info

ID:	14525
PubChem CID:	413652
Reduced:	SN6C12H12 (1)
Stoich.:	AB6C12D12 (1)
Weight, g/mol:	272.084416
ΔH_f, kcal/mol:	126.9
Dipole, Da:	6.58
IP(EA), eV:	-9.45(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-methylpyridin-2-yl)methylsulfanyl]-5H-purin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CSC2=NC(=NC3=NC=NC32)N

DOS

IR

Vibrations