Geometry & MOs

Info

ID:	10281
PubChem CID:	99609
Reduced:	N4O5C11H16 (1)
Stoich.:	A4B5C11D16 (1)
Weight, g/mol:	284.11207
ΔH_f, kcal/mol:	-163.99
Dipole, Da:	8.69
IP(EA), eV:	-8.67(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-2-(hydroxymethyl)-5-[(6R)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=N[C@H](C2=C(N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O)CO

DOS

IR

Vibrations