Geometry & MOs

Info

ID:	401055
PubChem CID:	135049939
Reduced:	F3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	318.05375
ΔH_f, kcal/mol:	-369.78
Dipole, Da:	6.22
IP(EA), eV:	-10.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-6-thiophen-2-yl-2-(trifluoromethyl)cyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=O)C=C(C1C(=O)OCC)C(F)(F)F

DOS

IR

Vibrations