Geometry & MOs

Info

ID:	1
PubChem CID:	1917
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	4.49
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3

DOS

IR

Vibrations