Geometry & MOs

Info

ID:

12555

PubChem CID:

140294

Reduced:

NO4C14H14 (1)

Stoich.:

AB4C14D14 (1)

Weight, g/mol:

260.092283

ΔHf, kcal/mol:

-109.11

Dipole, Da:

5.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.143826

Charge, e:

 1

Chem-info

IUPAC name:

methyl 3-hydroxy-3-methoxy-2-quinolin-1-ium-1-ylprop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations