Geometry & MOs

Info

ID:

136493

PubChem CID:

52050707

Reduced:

FO3N5C28H32 (1)

Stoich.:

AB3C5D28E32 (1)

Weight, g/mol:

536.291117

ΔHf, kcal/mol:

-83.06

Dipole, Da:

10.36

IP(EA), eV:

 -9.07(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC(=C(C=C3)N4CCC[C@H](C4)C(=O)NCCCN5CCCC5=O)F

DOS

IR

Vibrations