Geometry & MOs

Info

ID:	353360
PubChem CID:	127284736
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	4.32
Dipole, Da:	1.18
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydro-2-benzofuran-5-yl-[4-(4-methoxypyridin-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=NC=C1)N2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations