Geometry & MOs

Info

ID:	89259
PubChem CID:	49960142
Reduced:	ClBr2N2O3H13C20 (1)
Stoich.:	AB2C2D3E13F20 (1)
Weight, g/mol:	493.88553
ΔH_f, kcal/mol:	13.13
Dipole, Da:	4.89
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br)Cl

DOS

IR

Vibrations