Geometry & MOs

Info

ID:	228609
PubChem CID:	87565410
Reduced:	ClFSN3O3C25H31 (1)
Stoich.:	ABCD3E3F25G31 (1)
Weight, g/mol:	212.201439
ΔH_f, kcal/mol:	-111.38
Dipole, Da:	6.31
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,1-di(butan-2-yl)piperidin-1-ium-3-one

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=C(C=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations