Geometry & MOs

Info

ID:	368555
PubChem CID:	127329458
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	10.26
Dipole, Da:	9.17
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations