You need a browser with JavaScript support in order to view the molecule in 3D
uid 1733
scaling factor multiple (3)

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

Details

Properties

Number of atoms 50
Weight 402.1409 amu
Total energy -1228.709 Hartree
Zero-point energy 248.9669 Kcal/mol
Scaling factor multiple (3)
Method UB3LYP
State 3-BU
Solo hydrogens 2
Duo hydrogens 4
Trio hydrogens 12
Quartet hydrogens 0
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)