Geometry & MOs

Info

ID:

173116

PubChem CID:

75599703

Reduced:

O10C15H16 (2)

Stoich.:

A10B15C16 (2)

Weight, g/mol:

439.182872

ΔHf, kcal/mol:

-806.26

Dipole, Da:

6.52

IP(EA), eV:

 -9.49(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;2-(4-fluoro-2-methylphenyl)piperidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O

DOS

IR

Vibrations