Geometry & MOs

Info

ID:	242390
PubChem CID:	96099922
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	3.44
IP(EA), eV:	-8.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=NC2=CC=CC=C2N1C[C@@H](CN)O

DOS

IR

Vibrations