Geometry & MOs

Info

ID:	231269
PubChem CID:	87573298
Reduced:	NSO4C8H17 (1)
Stoich.:	ABC4D8E17 (1)
Weight, g/mol:	249.103275
ΔH_f, kcal/mol:	-196.64
Dipole, Da:	3.97
IP(EA), eV:	-10.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-piperazin-1-yl-4H-quinoline

Drug info:

PubChemData

Smile

CC(C)CNS(=O)(=O)C(C)(C)C(=O)O

DOS

IR

Vibrations