Geometry & MOs

Info

ID:	89286
PubChem CID:	49960259
Reduced:	BrClN2O3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	436.07864
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	4.56
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC=CC=C3Cl)Br

DOS

IR

Vibrations