Geometry & MOs

Info

ID:	337186
PubChem CID:	127256751
Reduced:	Cl2N2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	2.42
IP(EA), eV:	-8.33(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-(pyridin-1-ium-1-ylmethoxymethyl)pyridin-1-ium-3,4-dicarbaldehyde

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)COC[N+]2=CC(=C(C=C2)C=O)C=O.[Cl-].[Cl-]

DOS

IR

Vibrations