Geometry & MOs

Info

ID:	288574
PubChem CID:	104320026
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	250.111756
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	2.28
IP(EA), eV:	-9.85(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)C3=NN=C(C=C3)Cl)O

DOS

IR

Vibrations