Geometry & MOs

Info

ID:

83923

PubChem CID:

49862570

Reduced:

NO3C19H28 (1)

Stoich.:

AB3C19D28 (1)

Weight, g/mol:

175.076392

ΔHf, kcal/mol:

-26.08

Dipole, Da:

3.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751602

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-1-azoniabicyclo[2.2.2]octan-3-one;chloride

Drug info:

PubChemData

Smile

CC[N+]1(CCCC1)CCC#CC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations