Geometry & MOs

Info

ID:	220738
PubChem CID:	85230828
Reduced:	FO2H3C5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	228.077342
ΔH_f, kcal/mol:	-207.86
Dipole, Da:	5.69
IP(EA), eV:	-10.4(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-fluoro-2-(trifluoromethyl)hex-4-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=CC(=O)C(=O)O)O)F)F

DOS

IR

Vibrations