You need a browser with JavaScript support in order to view the molecule in 3D
uid 296
scaling factor multiple (3)

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

This species has a counterpart in the experimental library

Details

Properties

Number of atoms 29
Weight 229.0891 amu
Total energy -708.0227 Hartree
Zero-point energy 145.6348 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 2-A"
Solo hydrogens 1
Duo hydrogens 6
Trio hydrogens 0
Quartet hydrogens 4
Quintet hydrogens 0
CH2 0
CHx 0

Reference(s)

Comment(s)

History


You are kindly asked to consider the following references for citation when using the database:


4,233 species present in version 3.20 of the theoretical database (Sep 12, 2019)