Geometry & MOs

Info

ID:	89289
PubChem CID:	49960276
Reduced:	BrCl2N2O3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	402.05791
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	3.06
IP(EA), eV:	-9.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-propan-2-ylphenoxy)methyl]-5-(2-methoxyphenyl)-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)Cl)Br

DOS

IR

Vibrations