You need a browser with JavaScript support in order to view the molecule in 3D
uid 485
scaling factor multiple (3)

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

Details

Properties

Number of atoms 17
Weight 129.0578 amu
Total energy -401.4008 Hartree
Zero-point energy 86.2985 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A'
Solo hydrogens 0
Duo hydrogens 0
Trio hydrogens 3
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)