Geometry & MOs

Info

ID:	163480
PubChem CID:	58002571
Reduced:	F4N4O4H24C25 (1)
Stoich.:	A4B4C4D24E25 (1)
Weight, g/mol:	487.238353
ΔH_f, kcal/mol:	-277.24
Dipole, Da:	3.56
IP(EA), eV:	-9.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethylphenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CC1O)C(=O)N2CC(CC(C2)C3=NC(=NO3)C4=CC(=CC=C4)F)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations