Geometry & MOs

Info

ID:	214473
PubChem CID:	85083100
Reduced:	ClO3N4C30H39 (1)
Stoich.:	AB3C4D30E39 (1)
Weight, g/mol:	538.95667
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	5.07
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)NC(C)(C)C)NC(=O)NC3=CC(=CC=C3)Cl)C4CCCCC4

DOS

IR

Vibrations