Geometry & MOs

Info

ID:	242393
PubChem CID:	96099925
Reduced:	ON5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	12.89
Dipole, Da:	2.52
IP(EA), eV:	-9.22(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-2-ethoxycyclopropyl]-[(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)N=CC=C2

DOS

IR

Vibrations