Geometry & MOs

Info

ID:

194052

PubChem CID:

78472756

Reduced:

N3O3C17H26 (1)

Stoich.:

A3B3C17D26 (1)

Weight, g/mol:

396.228717

ΔHf, kcal/mol:

-57.29

Dipole, Da:

6.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.022899

Charge, e:

 1

Chem-info

IUPAC name:

N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C[NH+]1CCCCC1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations