Geometry & MOs

Info

ID:	195670
PubChem CID:	78720755
Reduced:	FON3C24H32 (1)
Stoich.:	ABC3D24E32 (1)
Weight, g/mol:	345.192666
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	2.09
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-4-ium-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

DOS

IR

Vibrations