Geometry & MOs

Info

ID:	84985
PubChem CID:	49871187
Reduced:	ClNF3H3O3C7 (1)
Stoich.:	ABC3D3E3F7 (1)
Weight, g/mol:	406.191087
ΔH_f, kcal/mol:	-251.08
Dipole, Da:	2.63
IP(EA), eV:	-10.6(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-chloro-4-propan-2-yloxyphenyl)ethyl]-6-cyclopentyl-3-ethyloxane-2,4-dione

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1Cl)OC(F)(F)F)C(=O)O

DOS

IR

Vibrations