Geometry & MOs

Info

ID:	228492
PubChem CID:	87564869
Reduced:	BrClO2H4F6C9 (1)
Stoich.:	ABC2D4E6F9 (1)
Weight, g/mol:	186.029249
ΔH_f, kcal/mol:	-379.07
Dipole, Da:	1.41
IP(EA), eV:	-9.99(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3,5-trifluorophenyl)prop-2-enal

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1OC(F)(F)F)OCC(F)(F)F)Cl)Br

DOS

IR

Vibrations