Geometry & MOs

Info

ID:	89239
PubChem CID:	49960108
Reduced:	BrN3O3H10C15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	535.9558
ΔH_f, kcal/mol:	52.44
Dipole, Da:	2.64
IP(EA), eV:	-9.63(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations