Geometry & MOs

Info

ID:	228801
PubChem CID:	87565831
Reduced:	ClFSN3O5C28H35 (1)
Stoich.:	ABCD3E5F28G35 (1)
Weight, g/mol:	247.170292
ΔH_f, kcal/mol:	-203.48
Dipole, Da:	4.98
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis(2-methylpropyl)piperidin-1-ium-3-one;chloride

Drug info:

PubChemData

Smile

CCOC(=O)CC(C(=O)OCC)N1C=CC(=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations