Geometry & MOs

Info

ID:	136541
PubChem CID:	52059485
Reduced:	SO2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	4.43
IP(EA), eV:	-8.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-ethylhexyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CN2CCC(CC2)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations