Geometry & MOs

Info

ID:	412213
PubChem CID:	135085096
Reduced:	CuN12H24C32 (1)
Stoich.:	AB12C24D32 (1)
Weight, g/mol:	345.352742
ΔH_f, kcal/mol:	495.8
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 4.737419
Charge, e:	0

Chem-info

IUPAC name:

lithium;tritert-butyl-(2,2,6,6-tetramethylpiperidin-1-yl)alumanuide

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1C3=NC4=NC(=NC5=C6C=CC=[N+](C6=C([N-]5)N=C7C8=C(C(=N7)N=C2[N-]3)[N+](=CC=C8)C)C)C9=C4C=CC=[N+]9C.[Cu+2]

DOS

IR

Vibrations