Geometry & MOs

Info

ID:	399013
PubChem CID:	135037022
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	226.21709
ΔH_f, kcal/mol:	-100.31
Dipole, Da:	4.17
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-methoxy-5,5-bis(2-methylpropyl)-3,4-dihydro-2H-pyridin-1-ium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC=C)S(=O)C1=CC=CC=C1

DOS

IR

Vibrations