Geometry & MOs
Info
ID: |
231386 |
PubChem CID: |
87573599 |
Reduced: |
PN3C28H57 (1) |
Stoich.: |
AB3C28D57 (1) |
Weight, g/mol: |
289.098394 |
ΔHf, kcal/mol: |
-25.99 |
Dipole, Da: |
27.54 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.765109 |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-amino-3-hydroxy-3-methylbutan-2-one;4-methylbenzenesulfonic acid