Geometry & MOs

Info

ID:	11324
PubChem CID:	114009
Reduced:	NSO3C28H39 (1)
Stoich.:	ABC3D28E39 (1)
Weight, g/mol:	469.265065
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	4.19
IP(EA), eV:	-8.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dodecylquinolin-1-ium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1=CC=CC2=CC=CC=C21.CC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations