Geometry & MOs

Info

ID:	27767
PubChem CID:	823476
Reduced:	ION3H8C13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	314.00548
ΔH_f, kcal/mol:	106.56
Dipole, Da:	3.44
IP(EA), eV:	-9.82(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)C2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations