Geometry & MOs

Info

ID:	242319
PubChem CID:	96099851
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	5.41
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N1C2=C(C=C(C=C2)OC)N=C1CNC

DOS

IR

Vibrations