Geometry & MOs

Info

ID:	242357
PubChem CID:	96099889
Reduced:	FO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-86.14
Dipole, Da:	1.4
IP(EA), eV:	-9.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations