Geometry & MOs

Info

ID:	242322
PubChem CID:	96099854
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-87.41
Dipole, Da:	5.78
IP(EA), eV:	-8.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations