Geometry & MOs

Info

ID:	422256
PubChem CID:	135117518
Reduced:	NF3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-288.1
Dipole, Da:	6.56
IP(EA), eV:	-9.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)CCC(F)(F)F)OCC2

DOS

IR

Vibrations