Geometry & MOs

Info

ID:	344114
PubChem CID:	127267290
Reduced:	FO2N3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-73.73
Dipole, Da:	1.37
IP(EA), eV:	-9.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-benzylpiperidin-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C(=NN(C1=O)C)C2=C(C=C(C=C2)F)CO

DOS

IR

Vibrations