Geometry & MOs

Info

ID:	150737
PubChem CID:	53790433
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	400.185903
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	4.46
IP(EA), eV:	-8.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-6-[2-(4-methylphenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1C(=CNC2=CC=CC3=CC=CC=C32)C(=O)C4=CC(=C(C=C4N1C(=O)O)OC)OC

DOS

IR

Vibrations