Geometry & MOs

Info

ID:	195591
PubChem CID:	78705157
Reduced:	NSO2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	291.170868
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	6.32
IP(EA), eV:	-9.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-ylpropanamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NS(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations