Geometry & MOs

Info

ID:	89284
PubChem CID:	49960248
Reduced:	BrN3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	573.89253
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	4.69
IP(EA), eV:	-9.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC=C(C=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations