Geometry & MOs

Info

ID:	250352
PubChem CID:	103095939
Reduced:	BrClON2F3H11C13 (1)
Stoich.:	ABCD2E3F11G13 (1)
Weight, g/mol:	284.048318
ΔH_f, kcal/mol:	-130.94
Dipole, Da:	2.51
IP(EA), eV:	-10.47(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=C(C=CC(=C2)C(F)(F)F)Br)Cl

DOS

IR

Vibrations