Geometry & MOs

Info

ID:	89236
PubChem CID:	49960096
Reduced:	FBr2N2O2H13C21 (1)
Stoich.:	AB2C2D2E13F21 (1)
Weight, g/mol:	545.96128
ΔH_f, kcal/mol:	19.68
Dipole, Da:	4.67
IP(EA), eV:	-8.99(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br)F

DOS

IR

Vibrations