Geometry & MOs

Info

ID:	242313
PubChem CID:	96099845
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-42.66
Dipole, Da:	5.33
IP(EA), eV:	-9.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-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=CC=CC=C2N=C1CNC

DOS

IR

Vibrations