Geometry & MOs

Info

ID:	369458
PubChem CID:	127333440
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	6.16
IP(EA), eV:	-8.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCCN(C2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations