Geometry & MOs

Info

ID:	217653
PubChem CID:	85088166
Reduced:	Cl2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	58.75
Dipole, Da:	35.59
IP(EA), eV:	-6.41(-3.07)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[3-[3-(hydroxyiminomethyl)pyridin-1-ium-1-yl]-2-oxopropyl]-N-methylpyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C[N+](=CC=C1)CC(=O)C[N+]2=CC=CC(=C2)C=NO.[Cl-].[Cl-]

DOS

IR

Vibrations