Geometry & MOs

Info

ID:

380095

PubChem CID:

134964959

Reduced:

N2O3C15H19 (1)

Stoich.:

A2B3C15D19 (1)

Weight, g/mol:

140.143925

ΔHf, kcal/mol:

-77.07

Dipole, Da:

9.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.025717

Charge, e:

 1

Chem-info

IUPAC name:

3-ethyl-1-azoniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1C)[O])CCN2C=CN=C2C)O

DOS

IR

Vibrations