Geometry & MOs

Info

ID:	42390
PubChem CID:	8149503
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-95.89
Dipole, Da:	1.06
IP(EA), eV:	-8.71(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-piperidin-1-ylanilino)propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)OCC)OC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3

DOS

IR

Vibrations