Geometry & MOs

Info

ID:

382800

PubChem CID:

134974157

Reduced:

NO4H14C15 (1)

Stoich.:

AB4C14D15 (1)

Weight, g/mol:

272.092283

ΔHf, kcal/mol:

-74.44

Dipole, Da:

1.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.179777

Charge, e:

 1

Chem-info

IUPAC name:

dimethyl (E)-2-quinolin-1-ium-1-ylbut-2-enedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations