You need a browser with JavaScript support in order to view the molecule in 3D
uid 805
scaling factor multiple (3)

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

Details

Properties

Number of atoms 132
Weight 1254.235 amu
Total energy -3900.516 Hartree
Zero-point energy 613.6867 Kcal/mol
Scaling factor multiple (3)
Method RB3LYP
State 1-A
Solo hydrogens 13
Duo hydrogens 10
Trio hydrogens 0
Quartet hydrogens 0
Quintet hydrogens 5
CH2 2
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)