Geometry & MOs

Info

ID:	344619
PubChem CID:	127268203
Reduced:	ON6C14H18 (1)
Stoich.:	AB6C14D18 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	102.16
Dipole, Da:	2.4
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[1-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations