Geometry & MOs

Info

ID:	361637
PubChem CID:	127303931
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	3.33
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1-methylpiperidin-2-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3CCCCCC3

DOS

IR

Vibrations