Geometry & MOs

Info

ID:	389083
PubChem CID:	134991102
Reduced:	ClON2H33C34 (1)
Stoich.:	ABC2D33E34 (1)
Weight, g/mol:	384.171893
ΔH_f, kcal/mol:	67.18
Dipole, Da:	9.89
IP(EA), eV:	-8.22(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonate;N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide

Drug info:

PubChemData

Smile

C=C[C@H]1C[N+]2(CC[C@H]1CC2[C@H](C3=CC=NC4=CC=CC=C34)O)CC5=C6C=CC=CC6=CC7=CC=CC=C75.[Cl-]

DOS

IR

Vibrations