Geometry & MOs

Info

ID:	136496
PubChem CID:	52050891
Reduced:	FO3N6C29H37 (1)
Stoich.:	AB3C6D29E37 (1)
Weight, g/mol:	480.253669
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	8.45
IP(EA), eV:	-8.05(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-fluoro-4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-[(2R)-4-methylpentan-2-yl]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