Geometry & MOs

Info

ID:	174509
PubChem CID:	75775692
Reduced:	FO4N5C26H28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	507.228183
ΔH_f, kcal/mol:	-99.26
Dipole, Da:	3.07
IP(EA), eV:	-8.78(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-[2-fluoro-4-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CN=CC=C4)F)C(=O)N5CCC6(CC5)OCCO6

DOS

IR

Vibrations