Geometry & MOs
Info
ID: |
442342 |
PubChem CID: |
135251441 |
Reduced: |
NOC7H12 (1) |
Stoich.: |
ABC7D12 (1) |
Weight, g/mol: |
205.141807 |
ΔHf, kcal/mol: |
-44.05 |
Dipole, Da: |
4.82 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.759325 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[2-[methyl((113C)methyl)amino](3,4-13C2)butanoylamino]propanoic acid