Geometry & MOs

Info

ID:	220977
PubChem CID:	85248068
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	252.068097
ΔH_f, kcal/mol:	80.32
Dipole, Da:	3.48
IP(EA), eV:	-9.22(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-hydroxy-5-methyloxolan-2-yl)-5H-purine-6-thione

Drug info:

PubChemData

Smile

C=CCC1C(N(C1=O)CC#C)C=CC2=CC=CC=C2

DOS

IR

Vibrations