Geometry & MOs

Info

ID:	214538
PubChem CID:	85083166
Reduced:	F2N4O8H24C25 (1)
Stoich.:	A2B4C8D24E25 (1)
Weight, g/mol:	546.26823
ΔH_f, kcal/mol:	-393.75
Dipole, Da:	5.42
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(hydroxyamino)ethylidene]-4-oxocyclohexa-1,5-dien-1-yl]methyl-methyl-dioctylazanium;iodide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CNC(=O)CC(=O)O)F)F

DOS

IR

Vibrations