Geometry & MOs

Info

ID:	192451
PubChem CID:	78271021
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	316.041032
ΔH_f, kcal/mol:	-144.47
Dipole, Da:	3.0
IP(EA), eV:	-9.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C(C(=C)NC(=O)N2)C(=O)OCCOC

DOS

IR

Vibrations