Geometry & MOs

Info

ID:	412110
PubChem CID:	135084984
Reduced:	N6C32H39 (1)
Stoich.:	A6B32C39 (1)
Weight, g/mol:	495.254872
ΔH_f, kcal/mol:	70.09
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.163009
Charge, e:	1

Chem-info

IUPAC name:

2-N-(6-anthracen-9-ylpyridin-2-yl)-1-N-quinolin-1-ium-2-ylcyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC2=[NH+]C3=CC=CC=C3C(=C2)N4CCCC4)NC5=NC6=CC=CC=C6C(=C5)N7CCCC7

DOS

IR

Vibrations