Geometry & MOs

Info

ID:	7290
PubChem CID:	71946
Reduced:	NO3H4C7 (2)
Stoich.:	AB3C4D7 (2)
Weight, g/mol:	300.038236
ΔH_f, kcal/mol:	-45.66
Dipole, Da:	4.44
IP(EA), eV:	-9.82(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-nitrofuran-2-yl)-1-oxidoquinolin-1-ium-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=[N+]2[O-])C(=O)O)C3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations