Geometry & MOs

Info

ID:	2301
PubChem CID:	6694
Reduced:	ClN2O3C28H31 (1)
Stoich.:	AB2C3D28E31 (1)
Weight, g/mol:	478.202321
ΔH_f, kcal/mol:	-72.62
Dipole, Da:	2.62
IP(EA), eV:	-6.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]

DOS

IR

Vibrations