Geometry & MOs
Info
ID: |
40802 |
PubChem CID: |
8144721 |
Reduced: |
NO3C20H24 (1) |
Stoich.: |
AB3C20D24 (1) |
Weight, g/mol: |
405.238947 |
ΔHf, kcal/mol: |
-59.78 |
Dipole, Da: |
4.74 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.179355 |
Charge, e: |
1 |
Chem-info
IUPAC name:
diethyl 2-acetamido-2-[(4-benzylpiperidin-1-ium-1-yl)methyl]propanedioate