Geometry & MOs

Info

ID:	291996
PubChem CID:	114003970
Reduced:	BrON6H7C10 (1)
Stoich.:	ABC6D7E10 (1)
Weight, g/mol:	309.04767
ΔH_f, kcal/mol:	112.14
Dipole, Da:	4.69
IP(EA), eV:	-9.12(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations