Geometry & MOs

Info

ID:	414745
PubChem CID:	135087706
Reduced:	FN3O5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-178.48
Dipole, Da:	8.16
IP(EA), eV:	-9.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-3-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)NCCC(=O)N3CCCC3)C(=O)O)F

DOS

IR

Vibrations