Geometry & MOs

Info

ID:	259354
PubChem CID:	103164521
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	5.97
Dipole, Da:	4.0
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(cyclobutylmethyl)-3-ethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C=C1)NC(=N2)CC3CCC3

DOS

IR

Vibrations