You need a browser with JavaScript support in order to view the molecule in 3D
uid 428
id 19945
symmetry Cs
scaling factor 0.958

Details

Properties

Number of atoms 13
Weight 94.04186 amu
Total energy -307.0658 Hartree
Zero-point energy 66.2715 Kcal/mol
Scaling factor 0.958
Method RB3LYP
State Cs
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 5
CH2 0
CHx 0

Reference(s)

Comment(s)

History


You are kindly asked to cite the following papers when using the database:


700 species present in version 2.00 of the theoretical database (Oct 29, 2013)