Geometry & MOs

Info

ID:	363292
PubChem CID:	127310550
Reduced:	O2N5C19H33 (1)
Stoich.:	A2B5C19D33 (1)
Weight, g/mol:	351.22704
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	5.04
IP(EA), eV:	-8.94(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(oxan-2-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NCC3CCCCC3C

DOS

IR

Vibrations