Geometry & MOs

Info

ID:	338568
PubChem CID:	127259579
Reduced:	N2H22C25 (1)
Stoich.:	A2B22C25 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	103.2
Dipole, Da:	6.27
IP(EA), eV:	-8.09(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(6-aminopurin-7-yl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)/C=C/C3=C4C=CC=CC4=NC5=CC=CC=C53

DOS

IR

Vibrations