Geometry & MOs

Info

ID:	136482
PubChem CID:	52049080
Reduced:	FO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	501.217618
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	5.33
IP(EA), eV:	-8.99(-1.01)
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-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4CC4)F

DOS

IR

Vibrations