Geometry & MOs

Info

ID:

136907

PubChem CID:

52121427

Reduced:

O3N5C27H34 (1)

Stoich.:

A3B5C27D34 (1)

Weight, g/mol:

517.232519

ΔHf, kcal/mol:

-12.25

Dipole, Da:

6.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.989400

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbonyl]-1-(2-phenylethyl)piperazine-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN=C(O2)C[NH+]3CCC(CC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations