Geometry & MOs

Info

ID:

85522

PubChem CID:

49876355

Reduced:

ClNO3H9C11 (1)

Stoich.:

ABC3D9E11 (1)

Weight, g/mol:

342.162467

ΔHf, kcal/mol:

-40.84

Dipole, Da:

7.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.999526

Charge, e:

 -1

Chem-info

IUPAC name:

3,5-diethyl-2,6-diphenylpiperidin-4-one;chloride

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)OCC(=O)O)N=CC=C2.[Cl-]

DOS

IR

Vibrations