Geometry & MOs

Info

ID:	89124
PubChem CID:	49959524
Reduced:	N4O6H10C15 (1)
Stoich.:	A4B6C10D15 (1)
Weight, g/mol:	498.92015
ΔH_f, kcal/mol:	21.66
Dipole, Da:	4.86
IP(EA), eV:	-10.26(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations