Geometry & MOs

Info

ID:	194843
PubChem CID:	78597400
Reduced:	ON3H20C22 (1)
Stoich.:	AB3C20D22 (1)
Weight, g/mol:	353.176622
ΔH_f, kcal/mol:	77.7
Dipole, Da:	0.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.385396
Charge, e:	1

Chem-info

IUPAC name:

14-pyridin-3-yl-3,15-diaza-13-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16,18,20-heptaene

Drug info:

PubChemData

Smile

C1C[NH+]2C(C3=CC=CC=C3NC2C4=CC=CO4)C5=C1C6=CC=CC=C6N5

DOS

IR

Vibrations