Geometry & MOs

Info

ID:	20452
PubChem CID:	584040
Reduced:	IO4N5C10H12 (1)
Stoich.:	AB4C5D10E12 (1)
Weight, g/mol:	392.9934
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	3.96
IP(EA), eV:	-9.45(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-2-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)I)N

DOS

IR

Vibrations