Geometry & MOs

Info

ID:

132515

PubChem CID:

51374054

Reduced:

O4N5H14C15 (1)

Stoich.:

A4B5C14D15 (1)

Weight, g/mol:

294.087866

ΔHf, kcal/mol:

12.67

Dipole, Da:

2.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.840713

Charge, e:

 -1

Chem-info

IUPAC name:

1-methyl-4-oxo-3-(pyridin-4-ylcarbamoyl)quinolin-2-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1=N[N+](=C(C(=C1C)C#N)N)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations