Geometry & MOs

Info

ID:	89322
PubChem CID:	49960478
Reduced:	BrFN2O2H20C21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	472.13616
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	4.84
IP(EA), eV:	-9.04(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)/C=C/C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations