Geometry & MOs

Info

ID:	89243
PubChem CID:	49960122
Reduced:	ClBr2N2O3H15C21 (1)
Stoich.:	AB2C2D3E15F21 (1)
Weight, g/mol:	531.98202
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	4.59
IP(EA), eV:	-9.12(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br)Cl

DOS

IR

Vibrations