Geometry & MOs

Info

ID:	242358
PubChem CID:	96099890
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-73.16
Dipole, Da:	5.04
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations