Geometry & MOs

Info

ID:

397288

PubChem CID:

135030000

Reduced:

N2O4C14H21 (1)

Stoich.:

A2B4C14D21 (1)

Weight, g/mol:

231.089543

ΔHf, kcal/mol:

-124.2

Dipole, Da:

4.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.828658

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-2,7-dimethylquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C(=C(/CCC(=O)CCC=C)\O)/[N+]#N

DOS

IR

Vibrations