Geometry & MOs

Info

ID:	352776
PubChem CID:	127283865
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	358.130887
ΔH_f, kcal/mol:	78.92
Dipole, Da:	6.53
IP(EA), eV:	-9.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-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=CC=C2)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations