Geometry & MOs

Info

ID:	279462
PubChem CID:	103844010
Reduced:	BrClOH5N5C10 (1)
Stoich.:	ABCD5E5F10 (1)
Weight, g/mol:	348.96175
ΔH_f, kcal/mol:	113.46
Dipole, Da:	3.36
IP(EA), eV:	-10.06(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=NC(=NO2)C3=NC=NN3)Br)Cl

DOS

IR

Vibrations