Geometry & MOs

Info

ID:	391539
PubChem CID:	135006373
Reduced:	SO3H17C20 (2)
Stoich.:	AB3C17D20 (2)
Weight, g/mol:	177.055656
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	2.92
IP(EA), eV:	-9.51(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate;chloride

Drug info:

PubChemData

Smile

C=C1CC(C[C@H]1[C@@H](C2=CC=CC=C2)C(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)(S(=O)(=O)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

DOS

IR

Vibrations