Geometry & MOs

Info

ID:	229179
PubChem CID:	87567129
Reduced:	ClO2S3N4H7C9 (1)
Stoich.:	AB2C3D4E7F9 (1)
Weight, g/mol:	219.138992
ΔH_f, kcal/mol:	79.28
Dipole, Da:	3.9
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dipropylpiperidin-1-ium-4-one;chloride

Drug info:

PubChemData

Smile

CON=C(C1=C(SC(=N1)N)Cl)C(=S)OC2=NC=CS2

DOS

IR

Vibrations