Geometry & MOs

Info

ID:	357393
PubChem CID:	127294026
Reduced:	SN4O4C17H20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	6.88
IP(EA), eV:	-9.27(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-N-(1-propylpiperidin-4-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NOC=N4

DOS

IR

Vibrations