Geometry & MOs

Info

ID:	89242
PubChem CID:	49960121
Reduced:	ClBr2N2O3H17C22 (1)
Stoich.:	AB2C2D3E17F22 (1)
Weight, g/mol:	537.91175
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	1.36
IP(EA), eV:	-9.01(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-methylphenoxy)methyl]-5-[(1,6-dibromonaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations