Geometry & MOs

Info

ID:	250323
PubChem CID:	103095676
Reduced:	ClON2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	313.98215
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	3.6
IP(EA), eV:	-10.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-4-methylphenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)CC(C)CC(C)(C)C)Cl

DOS

IR

Vibrations