Geometry & MOs

Info

ID:	136557
PubChem CID:	52062385
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	4.5
IP(EA), eV:	-8.43(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methylaziridin-1-yl]-[1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations