Geometry & MOs

Info

ID:	80456
PubChem CID:	49834553
Reduced:	BrOF3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	328.128629
ΔH_f, kcal/mol:	-185.36
Dipole, Da:	2.59
IP(EA), eV:	-10.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(1R)-3-oxocyclopentyl]-2-(trifluoromethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

C1CC(=O)C[C@@H]1C2=CC(=C(C=C2)Br)C(F)(F)F

DOS

IR

Vibrations