Geometry & MOs

Info

ID:	89296
PubChem CID:	49960329
Reduced:	BrClN2O3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	462.07903
ΔH_f, kcal/mol:	-40.22
Dipole, Da:	4.71
IP(EA), eV:	-9.14(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)C(C)C)Br)Cl

DOS

IR

Vibrations