Geometry & MOs

Info

ID:	136902
PubChem CID:	52120748
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	444.217284
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	5.66
IP(EA), eV:	-8.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[1-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)CN3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations