Geometry & MOs

Info

ID:

389139

PubChem CID:

134991284

Reduced:

AlNaN3C36H66 (1)

Stoich.:

ABC3D36E66 (1)

Weight, g/mol:

262.180704

ΔHf, kcal/mol:

-117.03

Dipole, Da:

9.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760565

Charge, e:

 1

Chem-info

IUPAC name:

2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-ium 1-oxide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)[Al-](N(C3CCCCC3)C4CCCCC4)N(C5CCCCC5)C6CCCCC6.[Na+]

DOS

IR

Vibrations