Geometry & MOs

Info

ID:

136491

PubChem CID:

52050179

Reduced:

FO4N6C27H31 (1)

Stoich.:

AB4C6D27E31 (1)

Weight, g/mol:

522.239082

ΔHf, kcal/mol:

-109.93

Dipole, Da:

3.72

IP(EA), eV:

 -9.29(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[(3S)-1-[2-fluoro-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)[C@@H]2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=NC=C5)F

DOS

IR

Vibrations