Geometry & MOs

Info

ID:	84570
PubChem CID:	49867953
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	505.257542
ΔH_f, kcal/mol:	-94.66
Dipole, Da:	2.91
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

cobalt(2+);2,4,10,12-tetramethyl-2,3,11,12-tetraza-22,25,26-triazanidapentacyclo[11.8.4.15,9.016,24.019,23]hexacosa-3,6,10-triene;dihydrate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)NC=C2C(=O)OC

DOS

IR

Vibrations