Geometry & MOs

Info

ID:	250337
PubChem CID:	103095793
Reduced:	ClN2O2C6H9 (1)
Stoich.:	AB2C2D6E9 (1)
Weight, g/mol:	244.097856
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	4.62
IP(EA), eV:	-10.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NC(=O)ON1)Cl

DOS

IR

Vibrations