Geometry & MOs

Info

ID:	225959
PubChem CID:	87246488
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	3.38
IP(EA), eV:	-8.52(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran;3-ethynyl-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

COS(=O)(=O)C1=CC=CC2=C1C(=CC=C2)N

DOS

IR

Vibrations