Geometry & MOs

Info

ID:

21498

PubChem CID:

588660

Reduced:

NSO3C13H16 (1)

Stoich.:

ABC3D13E16 (1)

Weight, g/mol:

266.08509

ΔHf, kcal/mol:

-98.48

Dipole, Da:

3.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.156960

Charge, e:

 1

Chem-info

IUPAC name:

3-(4-methylquinolin-1-ium-1-yl)propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=[N+](C2=CC=CC=C12)CCCS(=O)(=O)O

DOS

IR

Vibrations