Geometry & MOs

Info

ID:	242315
PubChem CID:	96099847
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-31.0
Dipole, Da:	5.44
IP(EA), eV:	-9.59(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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)N1C(=NC2=C1N=CC=C2)CNC

DOS

IR

Vibrations