Geometry & MOs

Info

ID:	89271
PubChem CID:	49960178
Reduced:	Br2Cl2N2O3H14C21 (1)
Stoich.:	A2B2C2D3E14F21 (1)
Weight, g/mol:	449.90377
ΔH_f, kcal/mol:	-6.46
Dipole, Da:	4.93
IP(EA), eV:	-9.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br)OC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations