Geometry & MOs

Info

ID:	25105
PubChem CID:	618970
Reduced:	N2O6H12C13 (1)
Stoich.:	A2B6C12D13 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	-129.09
Dipole, Da:	8.5
IP(EA), eV:	-10.5(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,3-dimethyl-1-oxidoquinoxalin-1-ium-6-ylidene)acetamide

Drug info:

PubChemData

Smile

C1C=CC(N1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations