Geometry & MOs

Info

ID:	248658
PubChem CID:	103083349
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	454.91302
ΔH_f, kcal/mol:	23.06
Dipole, Da:	2.04
IP(EA), eV:	-9.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(C1=NC(=NO1)C2=C(C=C(C=C2)Br)C)N

DOS

IR

Vibrations