Geometry & MOs

Info

ID:	309244
PubChem CID:	126540955
Reduced:	NC11H23 (1)
Stoich.:	AB11C23 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-32.73
Dipole, Da:	1.5
IP(EA), eV:	-8.4(2.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,7-dimethyl-1-(5-oxohexyl)-2H-purin-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCCCCN(CC1)C

DOS

IR

Vibrations