Geometry & MOs

Info

ID:	218884
PubChem CID:	85090109
Reduced:	Br2O2N4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	95.47
Dipole, Da:	27.05
IP(EA), eV:	-6.58(-3.1)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[3-[3-(hydroxyiminomethyl)pyridin-1-ium-1-yl]propyl]-N-phenylpyridin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CCC[N+]3=CC=CC(=C3)C=NO.[Br-].[Br-]

DOS

IR

Vibrations