Geometry & MOs

Info

ID:	248751
PubChem CID:	103084114
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	330.00039
ΔH_f, kcal/mol:	36.05
Dipole, Da:	4.51
IP(EA), eV:	-9.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

Drug info:

PubChemData

Smile

CCNC(C)C1=NC(=NO1)C2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations