Determine the angle of rotation of the molecule

User 6cec6c5ae2

02-06-2012 17:03:03

Dear all !


[Marvin 5.8, Calculator]


My molecule is composed of tricycle, and phenyl. Do: Geometry - MMF94 enegry - OK. Phenyl rotates relative to a tricycle. How do I know the angle?


With regards,


Alexandr 

ChemAxon afdac7b783

05-06-2012 12:12:04

Dear Alexandr,


 


You should use Marvin Space to get dihedral angle values.
Read more about the usage of Marvin Space: http://www.chemaxon.com/marvin/help/space/space-gui.html#monitors />


See attached an example created in Marvin Space.