Geometry & MOs

Info

ID:

14851

PubChem CID:

422479

Reduced:

ClNO4C14H21 (1)

Stoich.:

ABC4D14E21 (1)

Weight, g/mol:

302.115911

ΔHf, kcal/mol:

-68.62

Dipole, Da:

3.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757844

Charge, e:

 1

Chem-info

IUPAC name:

2-cyclohexylidene-1,3-dihydroisoindol-2-ium;trihydroxy(oxo)-lambda5-chlorane

Drug info:

PubChemData

Smile

C1CCC(=[N+]2CC3=CC=CC=C3C2)CC1.OCl(=O)(O)O

DOS

IR

Vibrations