Geometry & MOs

Info

ID:	214474
PubChem CID:	85083101
Reduced:	I2O2N3C16H19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	49.33
Dipole, Da:	23.4
IP(EA), eV:	-6.68(-2.82)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[1-[3-[3-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations