Geometry & MOs

Info

ID:	242261
PubChem CID:	96099678
Reduced:	N4O4C17H18 (1)
Stoich.:	A4B4C17D18 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-78.54
Dipole, Da:	6.25
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)[C@@H]2CCCN2C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations