Geometry & MOs

Info

ID:

136494

PubChem CID:

52050889

Reduced:

FO3N6C29H37 (1)

Stoich.:

AB3C6D29E37 (1)

Weight, g/mol:

537.298942

ΔHf, kcal/mol:

-62.91

Dipole, Da:

4.05

IP(EA), eV:

 -8.24(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(3S)-N-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-[2-fluoro-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCNC(=O)[C@@H]2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=C(C=C5)OC)F

DOS

IR

Vibrations