Geometry & MOs

Info

ID:	89294
PubChem CID:	49960321
Reduced:	ClBr2N2O3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	452.07356
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	2.72
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations