Geometry & MOs

Info

ID:	125728
PubChem CID:	50935757
Reduced:	CoON6C23H44 (1)
Stoich.:	ABC6D23E44 (1)
Weight, g/mol:	281.127614
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	14.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.781425
Charge, e:	-1

Chem-info

IUPAC name:

5,7-dimethyl-1,4,11-triaza-8-azanidacyclotetradeca-4,6-diene;nickel

Drug info:

PubChemData

Smile

[CH3-].CC(C(C)NCCC1CCCCN1)N.CC(=C(C)N=O)NCCC1C=CC=C[N-]1.[Co]

DOS

IR

Vibrations