Geometry & MOs

Info

ID:	250362
PubChem CID:	103096014
Reduced:	ClON2C15H27 (1)
Stoich.:	ABC2D15E27 (1)
Weight, g/mol:	381.96954
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	2.92
IP(EA), eV:	-10.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1-chlorobutyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCCCCCCC1=NC(=NO1)C(CCC)Cl

DOS

IR

Vibrations