Geometry & MOs

Info

ID:	157700
PubChem CID:	56436630
Reduced:	SO2N3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	46.63
Dipole, Da:	6.25
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=NNC(=C3)C4=CC=CS4

DOS

IR

Vibrations