Geometry & MOs

Info

ID:	214539
PubChem CID:	85083167
Reduced:	IN2O2C26H47 (1)
Stoich.:	AB2C2D26E47 (1)
Weight, g/mol:	419.363754
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	9.39
IP(EA), eV:	-7.32(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC[N+](C)(CCCCCCCC)CC1=CC(=C(C)NO)C(=O)C=C1.[I-]

DOS

IR

Vibrations