Geometry & MOs

Info

ID:	363023
PubChem CID:	127310048
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-82.47
Dipole, Da:	5.21
IP(EA), eV:	-9.13(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CCOCC3

DOS

IR

Vibrations