Geometry & MOs

Info

ID:	306940
PubChem CID:	125264393
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-125.25
Dipole, Da:	3.2
IP(EA), eV:	-8.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,7aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H]([C@H](CN2C(=O)C3=COC=C3)N4CCOCC4)OC1

DOS

IR

Vibrations