Geometry & MOs

Info

ID:	89110
PubChem CID:	49959472
Reduced:	BrCl2N2O3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	406.10842
ΔH_f, kcal/mol:	-34.69
Dipole, Da:	5.14
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-2-methylphenoxy)methyl]-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C(C)OC3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations