Geometry & MOs

Info

ID:	305436
PubChem CID:	124807245
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	4.38
IP(EA), eV:	-8.64(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,3aS,7aR)-1-(2-pyridin-2-ylacetyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]2[C@@H]1N(CC2)C3=CC=CC=N3)CC4CC4

DOS

IR

Vibrations