Geometry & MOs

Info

ID:

14852

PubChem CID:

422480

Reduced:

NC14H18 (1)

Stoich.:

AB14C18 (1)

Weight, g/mol:

200.143925

ΔHf, kcal/mol:

24.86

Dipole, Da:

0.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757840

Charge, e:

 1

Chem-info

IUPAC name:

2-cyclohexylidene-1,3-dihydroisoindol-2-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations