Geometry & MOs

Info

ID:	306941
PubChem CID:	125264394
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-120.18
Dipole, Da:	2.55
IP(EA), eV:	-8.67(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,7aR)-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](CN2CC3=CC4=C(C=C3)OCO4)N5CCOCC5)OC1

DOS

IR

Vibrations