Geometry & MOs

Info

ID:	184900
PubChem CID:	77226985
Reduced:	ClON3C6H7 (2)
Stoich.:	ABC3D6E7 (2)
Weight, g/mol:	419.144098
ΔH_f, kcal/mol:	5.82
Dipole, Da:	7.83
IP(EA), eV:	-9.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(3,5-dihydroxy-4-methoxyphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CONC1C(=O)NCC2=C(C=CC(=C2)Cl)N3C=NN=N3.Cl

DOS

IR

Vibrations