Molecular and Atomic Properties
Molecular Weight
183.21 g/mol
Melting Point
215 °C
Water Solubility
<0.01 g/100mL at 18 °C
Standard Heat of Formation
-439.17 kJ/mol
Molecular Polarizability
18.676 A
3
Effective Atomic Polarizability
See separate page
Atomic
-System Partial Charge
See separate page
Bond Distances, Bond Angles and Torsional Angles
Click on the image to the left or
here
to load the VRML scene.
Click on the atoms in the VRML scene to calculate the bond distances and bond angles.
The VRML scene was created with the
VRML File Creator for Chemical Structures
. You can also create a VRML scene of your own structure files (go
here
)
.
Molecular Orbitals
65 molecular orbitals
(36 occupied, 29 unoccupied)
HOMO of adrenaline
(MO Nr. 36)
LUMO of adrenaline
(MO Nr. 37)
MO Nr.
(1-65)
or
HOMO & LUMO
The VRML scenes were created with the
OrbVis
online service. Select a molecular orbital (1-65) and press the
Visualize
button to obtain the VRML scene of the MO (System Requirements: JDK1.1 compatible browser + VRML2.0 plugin).
You can also create a VRML scene of your own structure files (go
here
)
.
IR/Raman Spectra and Normal Modes
Click on the image on the left or
here
to get more information about IR/Raman spectra and normal modes (animated VRML scenes).
Last change: 1999-04-12
Frank.Oellien@chemie.uni-erlangen.de