Geometry & MOs

Info

ID:	221205
PubChem CID:	85257254
Reduced:	NO2C4H5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	298.151529
ΔH_f, kcal/mol:	-209.33
Dipole, Da:	2.52
IP(EA), eV:	-10.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N,N-dimethyl-2-[(1,3,7-trimethyl-2,6-dioxo-5H-purin-7-ium-8-yl)oxy]ethanamine oxide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(=O)N1C(=O)C(=[N+]=[N-])C(=O)OCC

DOS

IR

Vibrations