Geometry & MOs

Info

ID:

180707

PubChem CID:

76672405

Reduced:

FNORhC16H22 (1)

Stoich.:

ABCDE16F22 (1)

Weight, g/mol:

263.168543

ΔHf, kcal/mol:

-94.87

Dipole, Da:

7.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759577

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)ethyl]-2-fluoro-3H-pyridin-6-one

Drug info:

PubChemData

Smile

C1CC2CCC(CC2C1)CCC3C=CC(=O)N=C3F.[Rh]

DOS

IR

Vibrations