Geometry & MOs

Info

ID:	89250
PubChem CID:	49960131
Reduced:	Br2N2O3H18C22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	477.91508
ΔH_f, kcal/mol:	-2.58
Dipole, Da:	3.16
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br)C

DOS

IR

Vibrations