Geometry & MOs

Info

ID:	397868
PubChem CID:	135030861
Reduced:	SF3O8H27C28 (1)
Stoich.:	AB3C8D27E28 (1)
Weight, g/mol:	149.046336
ΔH_f, kcal/mol:	-399.68
Dipole, Da:	4.13
IP(EA), eV:	-9.43(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-methoxy-8,9-dihydropurin-8-ylium

Drug info:

PubChemData

Smile

C1C2[C@H](C(C([C@H](O2)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(O1)C5=CC=CC=C5

DOS

IR

Vibrations