Geometry & MOs

Info

ID:	326319
PubChem CID:	126687326
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-196.41
Dipole, Da:	6.59
IP(EA), eV:	-10.32(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(3aR,6aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)OC(=O)[C@]2(C)OC(=O)C

DOS

IR

Vibrations