Geometry & MOs

Info

ID:	448274
PubChem CID:	135289820
Reduced:	F2O2N3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	274.081679
ΔH_f, kcal/mol:	-128.44
Dipole, Da:	1.69
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-4-oxo-4-(3,4,5-trifluorophenyl)butanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)NN=C1C2=CC(=C(C(=C2)F)N3CCOCC3)F

DOS

IR

Vibrations