Geometry & MOs

Info

ID:	298805
PubChem CID:	117657271
Reduced:	FO4H27C36 (1)
Stoich.:	AB4C27D36 (1)
Weight, g/mol:	487.299439
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	3.13
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-[2-[4-(dihexylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

C=CC(=O)OC1=CC=CC(=C1)/C=C/C2=CC=C(C=C2)/C=C/C3=C(C=C(C=C3)/C=C/C4=CC=CC=C4OC(=O)C=C)F

DOS

IR

Vibrations