Geometry & MOs

Info

ID:	181542
PubChem CID:	76759757
Reduced:	O3C7H12 (2)
Stoich.:	A3B7C12 (2)
Weight, g/mol:	706.458382
ΔH_f, kcal/mol:	-293.61
Dipole, Da:	2.11
IP(EA), eV:	-10.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-[5-[3-butyl-5-ethyl-1-(2-formyloxyethyl)-3-propylindol-1-ium-2-yl]-3-cyanopenta-2,4-dienylidene]-3-ethyl-5-methyl-3-pentylindol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CCO)OC(=O)C=CC(=O)OC(C)(C)CCO

DOS

IR

Vibrations