Geometry & MOs

Info

ID:	250367
PubChem CID:	103096072
Reduced:	ClON2F3C9H12 (1)
Stoich.:	ABC2D3E9F12 (1)
Weight, g/mol:	246.113506
ΔH_f, kcal/mol:	-176.62
Dipole, Da:	2.51
IP(EA), eV:	-10.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(3-methoxy-2-methylpropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CCC(F)(F)F)Cl

DOS

IR

Vibrations