Geometry & MOs

Info

ID:	346692
PubChem CID:	127271196
Reduced:	FON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	55.08
Dipole, Da:	4.77
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCCC(C3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations