Geometry & MOs

Info

ID:	159862
PubChem CID:	57288829
Reduced:	SN2O2F3H13C14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	413.178451
ΔH_f, kcal/mol:	-193.71
Dipole, Da:	6.04
IP(EA), eV:	-9.37(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-chloro-1-ethyl-5-[5-(1-ethylquinolin-2-ylidene)penta-1,3-dienyl]quinolin-1-ium

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)OC2=CSC(=C2)C(F)(F)F)CCCC(=O)N

DOS

IR

Vibrations