Geometry & MOs

Info

ID:	288617
PubChem CID:	104321535
Reduced:	NO2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	2.43
IP(EA), eV:	-9.39(1.08)
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)-3-phenylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CC2CCC(C2C1)O

DOS

IR

Vibrations