Geometry & MOs

Info

ID:	205688
PubChem CID:	80134987
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	262.117824
ΔH_f, kcal/mol:	-15.04
Dipole, Da:	2.97
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-amino-6-methoxypurin-9-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)CCN1C2=C(C(=NC=N2)OC)N=C1N

DOS

IR

Vibrations