Geometry & MOs

Info

ID:

48542

PubChem CID:

11108079

Reduced:

N2O2C15H21 (1)

Stoich.:

A2B2C15D21 (1)

Weight, g/mol:

260.152478

ΔHf, kcal/mol:

-24.36

Dipole, Da:

4.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.856744

Charge, e:

 0

Chem-info

IUPAC name:

pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C/C(=C(/C)\[N+]#N)/O)C1=CC=CC=C1OC

DOS

IR

Vibrations