Geometry & MOs

Info

ID:	346687
PubChem CID:	127271191
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	6.24
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CCN2CCCC(C2)C3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations