Geometry & MOs

Info

ID:	226260
PubChem CID:	87350251
Reduced:	C2N3O4H9 (1)
Stoich.:	A2B3C4D9 (1)
Weight, g/mol:	320.104859
ΔH_f, kcal/mol:	-69.73
Dipole, Da:	1.59
IP(EA), eV:	-8.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3Z)-3-[(4-ethylphenyl)methylidene]-1,4-dioxonaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C(CO[N+](=O)[O-])O.NN

DOS

IR

Vibrations