Geometry & MOs

Info

ID:	89291
PubChem CID:	49960290
Reduced:	ClBr2N2O3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	464.05023
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	3.96
IP(EA), eV:	-9.12(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations