Geometry & MOs

Info

ID:

14689

PubChem CID:

417770

Reduced:

NO2C12H12 (1)

Stoich.:

AB2C12D12 (1)

Weight, g/mol:

202.086804

ΔHf, kcal/mol:

-41.04

Dipole, Da:

2.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.888174

Charge, e:

 1

Chem-info

IUPAC name:

8-hydroxy-1,2-dimethylquinolin-1-ium-7-carbaldehyde

Drug info:

PubChemData

Smile

CC1=[N+](C2=C(C=C1)C=CC(=C2O)C=O)C

DOS

IR

Vibrations