Geometry & MOs

Info

ID:	374042
PubChem CID:	131322899
Reduced:	IN2O2F3H4C8 (1)
Stoich.:	AB2C2D3E4F8 (1)
Weight, g/mol:	236.025563
ΔH_f, kcal/mol:	-155.75
Dipole, Da:	5.81
IP(EA), eV:	-10.51(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)C#N)OC(F)(F)F)CO)I

DOS

IR

Vibrations