Geometry & MOs

Info

ID:	352775
PubChem CID:	127283864
Reduced:	OSN6C15H18 (1)
Stoich.:	ABC6D15E18 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	84.85
Dipole, Da:	6.41
IP(EA), eV:	-9.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5-[1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CS2)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations