Geometry & MOs

Info

ID:	355513
PubChem CID:	127288576
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	55.72
Dipole, Da:	1.27
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)CC3=NC(=NO3)C4CC4

DOS

IR

Vibrations