Geometry & MOs

Info

ID:	57511
PubChem CID:	22400349
Reduced:	Cl2F3O3H15C22 (1)
Stoich.:	A2B3C3D15E22 (1)
Weight, g/mol:	589.85378
ΔH_f, kcal/mol:	-194.71
Dipole, Da:	5.09
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(3,3-dibromoprop-2-enoxy)-4-[1-(4-ethoxyphenyl)-1,2,2,2-tetrafluoroethyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=C(C=C3)OCC=C(Cl)Cl)C(F)(F)F

DOS

IR

Vibrations