Geometry & MOs

Info

ID:	306936
PubChem CID:	125264387
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	0.75
IP(EA), eV:	-8.94(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5S,7aR)-1-(furan-3-ylmethyl)-5-(pyridin-2-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@H](CCN2CC3=COC=C3)O[C@@H]1COCC4=CC=CC=N4

DOS

IR

Vibrations