Geometry & MOs

Info

ID:	229279
PubChem CID:	87567312
Reduced:	ClN2O4C8H19 (1)
Stoich.:	AB2C4D8E19 (1)
Weight, g/mol:	269.072179
ΔH_f, kcal/mol:	-168.96
Dipole, Da:	3.25
IP(EA), eV:	-9.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxopiperidin-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)NCC(C(CO)[N+](=O)[O-])O.Cl

DOS

IR

Vibrations