Geometry & MOs

Info

ID:	89090
PubChem CID:	49959310
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	513.9562
ΔH_f, kcal/mol:	-43.8
Dipole, Da:	5.87
IP(EA), eV:	-8.34(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromo-6-methylphenoxy)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations