Geometry & MOs

Info

ID:	342997
PubChem CID:	127266160
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	7.66
IP(EA), eV:	-9.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC#N)NC(=O)CC1=NC(=C(S1)C)C2=CC=CO2

DOS

IR

Vibrations