Geometry & MOs

Info

ID:	120824
PubChem CID:	50746081
Reduced:	FO3N4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-23.69
Dipole, Da:	2.64
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=CC=CC=C3OCC(=O)N4CCN(CC4)C5=CC=CC=C5F

DOS

IR

Vibrations