Geometry & MOs

Info

ID:	216320
PubChem CID:	85086045
Reduced:	O2N4H10C13 (1)
Stoich.:	A2B4C10D13 (1)
Weight, g/mol:	255.125729
ΔH_f, kcal/mol:	107.61
Dipole, Da:	10.72
IP(EA), eV:	-8.89(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-(2-fluoro-2-methylpropyl)-1,3-dimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

C1CC2=C3C=CC(=CC3=NC2=C4C1C=NN4)[N+](=O)[O-]

DOS

IR

Vibrations