Geometry & MOs

Info

ID:	288627
PubChem CID:	104321938
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-162.41
Dipole, Da:	0.89
IP(EA), eV:	-9.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CC2CCC(C2C1)O)OC3=CC=CC=C3F

DOS

IR

Vibrations