Geometry & MOs

Info

ID:	14974
PubChem CID:	425650
Reduced:	CoON4C29H46 (1)
Stoich.:	ABC4D29E46 (1)
Weight, g/mol:	525.300356
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	30.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.967761
Charge, e:	-1

Chem-info

IUPAC name:

cobalt(3+);methanol;2,10,18,26-tetrazanidapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1(32),27,30-triene

Drug info:

PubChemData

Smile

CO.C1CCC2C(C1)C[N-]C3CCCCC3C[N-]C4=CC=CCC4=C[N-]C5CCCCC5C[N-]2.[Co+3]

DOS

IR

Vibrations