Geometry & MOs

Info

ID:	248629
PubChem CID:	103083177
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	313.98215
ΔH_f, kcal/mol:	-118.03
Dipole, Da:	4.4
IP(EA), eV:	-8.92(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(C=CC2=N1)OC)C(=O)O)OC

DOS

IR

Vibrations