Geometry & MOs

Info

ID:	12554
PubChem CID:	140293
Reduced:	NO4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	259.084458
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	10.51
IP(EA), eV:	-9.27(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethoxy-3-oxo-2-quinolin-1-ium-1-ylprop-1-en-1-olate

Drug info:

PubChemData

Smile

COC(=C(C(=O)OC)[N+]1=CC=CC2=CC=CC=C21)[O-]

DOS

IR

Vibrations