Geometry & MOs

Info

ID:	382799
PubChem CID:	134974156
Reduced:	NO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	272.092283
ΔH_f, kcal/mol:	-60.61
Dipole, Da:	9.18
IP(EA), eV:	-8.47(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-hydroxy-4-methoxy-2-quinolin-1-ium-1-ylbuta-2,3-dienoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations