Geometry & MOs

Info

ID:	14741
PubChem CID:	419343
Reduced:	OSN5C12H19 (1)
Stoich.:	ABC5D12E19 (1)
Weight, g/mol:	281.131031
ΔH_f, kcal/mol:	12.24
Dipole, Da:	3.17
IP(EA), eV:	-9.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diethylamino)-3-(6-sulfanylpurin-9-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCN(CC)CC(CN1C=NC2=C1N=CN=C2S)O

DOS

IR

Vibrations