Geometry & MOs

Info

ID:	59785
PubChem CID:	24897099
Reduced:	ON7C28H31 (1)
Stoich.:	AB7C28D31 (1)
Weight, g/mol:	601.042189
ΔH_f, kcal/mol:	50.35
Dipole, Da:	4.28
IP(EA), eV:	-8.53(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;manganese(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=C(N1)[C@@H]2CCCN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6

DOS

IR

Vibrations