Geometry & MOs

Info

ID:	192828
PubChem CID:	78317320
Reduced:	N2P3C10O13H19 (1)
Stoich.:	A2B3C10D13E19 (1)
Weight, g/mol:	431.067771
ΔH_f, kcal/mol:	-756.18
Dipole, Da:	3.24
IP(EA), eV:	-10.43(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-phenoxy-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O

DOS

IR

Vibrations