Geometry & MOs

Info

ID:	366006
PubChem CID:	127319311
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	272.073182
ΔH_f, kcal/mol:	21.16
Dipole, Da:	5.93
IP(EA), eV:	-9.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC(OC1)CCC2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations