Geometry & MOs

Info

ID:	225501
PubChem CID:	85852563
Reduced:	ClO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	293.065096
ΔH_f, kcal/mol:	-175.94
Dipole, Da:	4.64
IP(EA), eV:	-9.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

phosphoric acid;1,3,7-trimethyl-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(=O)O.C1=CC(=CC(=C1)Cl)OCO

DOS

IR

Vibrations