Geometry & MOs

Info

ID:	288591
PubChem CID:	104320932
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-98.52
Dipole, Da:	3.32
IP(EA), eV:	-8.41(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)N2CC3CCC(C3C2)O)Cl)O

DOS

IR

Vibrations