Geometry & MOs

Info

ID:	55334
PubChem CID:	17390063
Reduced:	FO2H9C12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	214.060549
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	3.47
IP(EA), eV:	-9.36(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,1,1-trifluoro-4-(3-methylphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2F)CC(=O)O

DOS

IR

Vibrations