Geometry & MOs

Info

ID:	89106
PubChem CID:	49959411
Reduced:	BrClN2O3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	468.90958
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	2.88
IP(EA), eV:	-9.13(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromo-6-methylphenoxy)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)C)Br

DOS

IR

Vibrations