Geometry & MOs

Info

ID:	349398
PubChem CID:	127275185
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-93.41
Dipole, Da:	9.13
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[1-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCOCC2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations