Geometry & MOs

Info

ID:	219114
PubChem CID:	85090594
Reduced:	NO8C32H37 (1)
Stoich.:	AB8C32D37 (1)
Weight, g/mol:	563.28964
ΔH_f, kcal/mol:	-270.76
Dipole, Da:	6.48
IP(EA), eV:	-8.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-(hydroxymethyl)-3-(trityloxymethyl)cyclobutyl]-2-(2-methylpropylamino)-5H-purin-6-one

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COC2=CC=C(C=C2)C3C(C(=O)N3C4=CC=C(C=C4)OC)CCCC5=CC=CC=C5)O)O)O

DOS

IR

Vibrations