Geometry & MOs

Info

ID:	89051
PubChem CID:	49958969
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	503.95072
ΔH_f, kcal/mol:	35.94
Dipole, Da:	4.05
IP(EA), eV:	-9.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations