Geometry & MOs

Info

ID:	132699
PubChem CID:	51402742
Reduced:	ClNSO2C22H34 (1)
Stoich.:	ABCD2E22F34 (1)
Weight, g/mol:	154.061652
ΔH_f, kcal/mol:	-143.72
Dipole, Da:	7.02
IP(EA), eV:	-8.68(0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-pyrrolidin-1-yl-1,2,5-oxadiazol-3-olate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3C(C(C2=O)OC4CCC(CC4)Cl)SC5CCCCC5N3

DOS

IR

Vibrations