Geometry & MOs

Info

ID:	287490
PubChem CID:	104244988
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	2.5
IP(EA), eV:	-9.54(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)CC2=NC(=NO2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations