Geometry & MOs

Info

ID:	352774
PubChem CID:	127283863
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	330.12628
ΔH_f, kcal/mol:	48.69
Dipole, Da:	10.18
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)N5C=NC=N5

DOS

IR

Vibrations