Geometry & MOs

Info

ID:	184397
PubChem CID:	77156019
Reduced:	N2Na2O4H10C11 (1)
Stoich.:	A2B2C4D10E11 (1)
Weight, g/mol:	500.231122
ΔH_f, kcal/mol:	-61.54
Dipole, Da:	5.92
IP(EA), eV:	-4.68(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-oxidoquinolin-1-ium-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C=CC=NC2=NC1=O)O.[Na].[Na]

DOS

IR

Vibrations