Geometry & MOs

Info

ID:	10438
PubChem CID:	101932
Reduced:	IN2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	454.0906
ΔH_f, kcal/mol:	88.17
Dipole, Da:	14.29
IP(EA), eV:	-6.83(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;iodide

Drug info:

PubChemData

Smile

CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]

DOS

IR

Vibrations