Geometry & MOs

Info

ID:	217325
PubChem CID:	85087623
Reduced:	NO10C13H23 (1)
Stoich.:	AB10C13D23 (1)
Weight, g/mol:	354.141358
ΔH_f, kcal/mol:	-449.79
Dipole, Da:	1.63
IP(EA), eV:	-10.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,7-dimethyl-8-nitro-3-[2-(oxan-2-yloxy)ethyl]-5H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C(=O)OC)OC)O)O

DOS

IR

Vibrations