Geometry & MOs

Info

ID:	326392
PubChem CID:	126687457
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	3.96
IP(EA), eV:	-10.57(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-(2-fluoropyridin-3-yl)-2-[2-(5-hydroxypyridin-2-yl)butyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C#N)O

DOS

IR

Vibrations