Geometry & MOs

Info

ID:

174246

PubChem CID:

75744227

Reduced:

N2O2C8H17 (1)

Stoich.:

A2B2C8D17 (1)

Weight, g/mol:

218.165723

ΔHf, kcal/mol:

-57.11

Dipole, Da:

4.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753992

Charge, e:

 1

Chem-info

IUPAC name:

N-(pyridin-3-ylmethyl)-1-azoniabicyclo[2.2.2]octan-3-amine

Drug info:

PubChemData

Smile

C1COCCN1C2C[NH2+]CC2O

DOS

IR

Vibrations