Geometry & MOs

Info

ID:	13310
PubChem CID:	225250
Reduced:	O2N4C11H15 (2)
Stoich.:	A2B4C11D15 (2)
Weight, g/mol:	470.239001
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	6.99
IP(EA), eV:	-9.01(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[8-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)octyl]-1,3-dimethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCCCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

DOS

IR

Vibrations