Geometry & MOs

Info

ID:	363019
PubChem CID:	127310044
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-74.99
Dipole, Da:	4.79
IP(EA), eV:	-9.2(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3CCOC3

DOS

IR

Vibrations