Geometry & MOs

Info

ID:	24931
PubChem CID:	614903
Reduced:	CuN2O2F6H14C16 (1)
Stoich.:	AB2C2D6E14F16 (1)
Weight, g/mol:	443.025544
ΔH_f, kcal/mol:	-295.11
Dipole, Da:	9.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.987213
Charge, e:	0

Chem-info

IUPAC name:

copper;1,1,1-trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopent-2-en-2-yl)amino]anilino]pent-3-en-2-one

Drug info:

PubChemData

Smile

CC(=CC(=O)C(F)(F)F)NC1=CC=CC=C1NC(=CC(=O)C(F)(F)F)C.[Cu]

DOS

IR

Vibrations