Geometry & MOs

Info

ID:	125283
PubChem CID:	50918639
Reduced:	NiO6N10C38H46 (1)
Stoich.:	AB6C10D38E46 (1)
Weight, g/mol:	837.489257
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	6.93
IP(EA), eV:	-8.18(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

dilithium;cobalt;2-methylphenol;piperidin-1-ide;2H-pyridin-1-ide

Drug info:

PubChemData

Smile

CC1(C[N-]CC(C(=NC(C[N-]CC(C(=N1)[O-])(C)OCCNC(=O)C2=NC3=CC=CC=C3N=C2)(C)C)[O-])(C)OCCNC(=O)C4=NC5=CC=CC=C5N=C4)C.[Ni]

DOS

IR

Vibrations