Geometry & MOs

Info

ID:	394604
PubChem CID:	135023278
Reduced:	CuN2F3C28H39 (1)
Stoich.:	AB2C3D28E39 (1)
Weight, g/mol:	460.139336
ΔH_f, kcal/mol:	-36.72
Dipole, Da:	1.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.758707
Charge, e:	2

Chem-info

IUPAC name:

2-di(propan-2-yl)phosphaniumylethyl-di(propan-2-yl)phosphanium;nickel(2+);trifluoromethane

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)N2CCN([CH-]2)C3=C(C=CC=C3C(C)C)C(C)C.[C-](F)(F)F.[Cu+2]

DOS

IR

Vibrations