NIST Standard Reference Database
http://webbook.nist.gov/chemistry/
General Searches:
Formula
Name
CAS registry number
Reaction
Author
Structure
Physical Property Based Searches:Ion energetics properties ,Vibrational and electronic energies ,Molecular weight
例如点击Formula 回出现一下内容
Search for Species Data by Chemical Formula
Please follow the steps below to conduct your search (Help):
Enter the desired chemical formula (e.g., C4H*Cl):
Select any desired options for the search:
Exactly match the specified isotopes. (Help)
Allow elements not specified in formula. (Help)
Allow more atoms of elements in formula than specified. (Help)
Exclude ions from the search. (Help)
Select the desired units for thermodynamic data:
SI calorie-based
Select the desired type(s) of data:
Thermodynamic Data Other Data
Gas phase IR spectrum
Condensed phase THz IR spectrum
Phase change Mass spectrum
Reaction UV/Vis spectrum
Ion energetics Gas Chromatography
Ion cluster Vibrational & electronic energy levels
Constants of diatomic molecules
Henry's Law
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