Geometry & MOs

Info

ID:	89325
PubChem CID:	49960502
Reduced:	BrN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	573.89253
ΔH_f, kcal/mol:	-27.57
Dipole, Da:	7.34
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-tert-butylphenoxy)methyl]-5-[(2,4-dibromophenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC=CC=C3OC)Br

DOS

IR

Vibrations