Geometry & MOs

Info

ID:	306739
PubChem CID:	125236736
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-55.12
Dipole, Da:	5.47
IP(EA), eV:	-9.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aR,7aR)-3-(pyridin-3-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(=O)N1C[C@@H]2[C@H](C1)C3=CC=CC=C3[C@@H]2NC(=O)C4CC4

DOS

IR

Vibrations