Geometry & MOs

Info

ID:	89235
PubChem CID:	49960093
Reduced:	ClN3O4H10C15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	503.93073
ΔH_f, kcal/mol:	21.02
Dipole, Da:	8.0
IP(EA), eV:	-9.45(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations