Geometry & MOs

Info

ID:	242432
PubChem CID:	96099968
Reduced:	FON4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	7.68
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=NC2=C(N1C[C@H](CN)O)C=CC(=C2)F

DOS

IR

Vibrations