Geometry & MOs

Info

ID:	52261
PubChem CID:	12015072
Reduced:	F3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	350.112979
ΔH_f, kcal/mol:	-309.91
Dipole, Da:	2.19
IP(EA), eV:	-10.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-5,5,5-trifluoro-1-phenylmethoxypent-3-en-2-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCC(/C=C/C(F)(F)F)OC(=O)COC

DOS

IR

Vibrations