Geometry & MOs

Info

ID:	311928
PubChem CID:	126599405
Reduced:	IOSN3H6C8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	533.389575
ΔH_f, kcal/mol:	66.79
Dipole, Da:	3.86
IP(EA), eV:	-8.96(-3.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2E)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-2-methylcyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindole

Drug info:

PubChemData

Smile

CC1=NN(C2=C1N=CC(=C2)C=O)SI

DOS

IR

Vibrations