Geometry & MOs

Info

ID:	288622
PubChem CID:	104321745
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	309.093185
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	3.64
IP(EA), eV:	-9.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-fluorophenyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)N2CC3CCC(C3C2)O

DOS

IR

Vibrations