Geometry & MOs

Info

ID:	413804
PubChem CID:	135086754
Reduced:	ClFBr3C3H3 (1)
Stoich.:	ABC3D3E3 (1)
Weight, g/mol:	204.078644
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	0.95
IP(EA), eV:	-10.93(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-5-oxopent-3-enyl] benzoate

Drug info:

PubChemData

Smile

C(C(F)Cl)C(Br)(Br)Br

DOS

IR

Vibrations