Geometry & MOs

Info

ID:	259355
PubChem CID:	103164546
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-65.67
Dipole, Da:	5.47
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3-ethoxycyclobutyl)methyl]-3-methyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCN1C2=C(C(=O)NC1=O)NC(=N2)CC3CCC3

DOS

IR

Vibrations