Geometry & MOs

Info

ID:	242343
PubChem CID:	96099875
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	4.22
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(2R)-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)N)N=C1CNC

DOS

IR

Vibrations