Geometry & MOs

Info

ID:	336628
PubChem CID:	127255635
Reduced:	I2O2N5H23C27 (1)
Stoich.:	A2B2C5D23E27 (1)
Weight, g/mol:	449.185175
ΔH_f, kcal/mol:	160.92
Dipole, Da:	35.07
IP(EA), eV:	-5.0(-3.24)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[6-[formyl-(1-methylquinolin-1-ium-3-yl)amino]pyridin-2-yl]-N-(1-methylquinolin-1-ium-3-yl)formamide

Drug info:

PubChemData

Smile

C[N+]1=CC(=CC2=CC=CC=C21)N(C=O)C3=NC(=CC=C3)N(C=O)C4=CC5=CC=CC=C5[N+](=C4)C.[I-].[I-]

DOS

IR

Vibrations