Geometry & MOs

Info

ID:	136484
PubChem CID:	52049803
Reduced:	FO4N5C28H28 (1)
Stoich.:	AB4C5D28E28 (1)
Weight, g/mol:	517.212533
ΔH_f, kcal/mol:	-51.59
Dipole, Da:	4.36
IP(EA), eV:	-8.55(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCNC(=O)[C@@H]2CCCN(C2)C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC=CC=N5)F

DOS

IR

Vibrations