Geometry & MOs

Info

ID:	174522
PubChem CID:	75777441
Reduced:	O2F4N4H22C27 (1)
Stoich.:	A2B4C4D22E27 (1)
Weight, g/mol:	444.290055
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	4.41
IP(EA), eV:	-8.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)F)F)C(=O)NCC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations