Geometry & MOs

Info

ID:

14886

PubChem CID:

423484

Reduced:

ClNO4C13H13 (1)

Stoich.:

ABC4D13E13 (1)

Weight, g/mol:

282.053311

ΔHf, kcal/mol:

-12.09

Dipole, Da:

3.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.121140

Charge, e:

 1

Chem-info

IUPAC name:

benzo[b]quinolizin-5-ium;trihydroxy(oxo)-lambda5-chlorane

Drug info:

PubChemData

Smile

C1=CC=C2C=[N+]3C=CC=CC3=CC2=C1.OCl(=O)(O)O

DOS

IR

Vibrations