Geometry & MOs

Info

ID:	166999
PubChem CID:	74764652
Reduced:	ClN2O5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	510.1532
ΔH_f, kcal/mol:	-103.15
Dipole, Da:	5.4
IP(EA), eV:	-7.82(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-1,3,3-trimethyl-2-[(2E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole;iodide

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)NC3=C(O2)C(=C(C=C3C(=O)O)[OH2+])O.[Cl-]

DOS

IR

Vibrations