Geometry & MOs

Info

ID:	89244
PubChem CID:	49960123
Reduced:	Br2N2O3H20C23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	519.90118
ΔH_f, kcal/mol:	0.68
Dipole, Da:	3.25
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations