Geometry & MOs

Info

ID:	24227
PubChem CID:	608524
Reduced:	N2O5H12C13 (1)
Stoich.:	A2B5C12D13 (1)
Weight, g/mol:	276.074621
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	3.43
IP(EA), eV:	-8.94(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetyl-2-methyl-1-oxido-4-oxoquinoxalin-4-ium-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)C(=O)OC)C(=O)C

DOS

IR

Vibrations