Geometry & MOs

Info

ID:	288624
PubChem CID:	104321831
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	3.16
IP(EA), eV:	-9.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridin-4-ylsulfanylethanone

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)C(=O)N3CC4CCC(C4C3)O

DOS

IR

Vibrations