Geometry & MOs

Info

ID:	136903
PubChem CID:	52120876
Reduced:	FN4O4C23H29 (1)
Stoich.:	AB4C4D23E29 (1)
Weight, g/mol:	445.225109
ΔH_f, kcal/mol:	-163.18
Dipole, Da:	6.85
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2CCN(CC2)CC3=NN=C(O3)C4=CC(=CC=C4)F

DOS

IR

Vibrations