Geometry & MOs

Info

ID:	137442
PubChem CID:	52208821
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	351.190654
ΔH_f, kcal/mol:	-66.83
Dipole, Da:	1.92
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations