Geometry & MOs

Info

ID:	136497
PubChem CID:	52050892
Reduced:	FO3N4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	497.260232
ΔH_f, kcal/mol:	-89.95
Dipole, Da:	3.15
IP(EA), eV:	-8.57(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-(diethylamino)propyl]-1-[2-fluoro-4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC(C)C)NC(=O)[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)OC)F

DOS

IR

Vibrations