Geometry & MOs

Info

ID:

14677

PubChem CID:

417353

Reduced:

SN2O6C23H23 (1)

Stoich.:

AB2C6D23E23 (1)

Weight, g/mol:

455.127683

ΔHf, kcal/mol:

-145.92

Dipole, Da:

6.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.028499

Charge, e:

 1

Chem-info

IUPAC name:

5-[2-(6-methoxy-1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol;methyl hydrogen sulfate

Drug info:

PubChemData

Smile

C[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=CC3=C4C=CC=NC4=C(C=C3)O.COS(=O)(=O)O

DOS

IR

Vibrations