Geometry & MOs

Info

ID:	352763
PubChem CID:	127283852
Reduced:	O2N6C15H24 (1)
Stoich.:	A2B6C15D24 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	9.91
IP(EA), eV:	-9.02(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-5-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)CN2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations