Geometry & MOs

Info

ID:	288595
PubChem CID:	104321061
Reduced:	FNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-121.99
Dipole, Da:	3.31
IP(EA), eV:	-9.15(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC(=O)CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations