Geometry & MOs

Info

ID:

132607

PubChem CID:

51385443

Reduced:

NO2C12H14 (1)

Stoich.:

AB2C12D14 (1)

Weight, g/mol:

206.100346

ΔHf, kcal/mol:

-22.24

Dipole, Da:

17.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.924945

Charge, e:

 1

Chem-info

IUPAC name:

spiro[1H-2-benzothiophene-3,4'-piperidin-1-ium]

Drug info:

PubChemData

Smile

C1C[NH2+]CCC12C3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations