Geometry & MOs
Info
ID: |
148589 |
PubChem CID: |
53788257 |
Reduced: |
SN2C3H5 (1) |
Stoich.: |
AB2C3D5 (1) |
Weight, g/mol: |
686.429488 |
ΔHf, kcal/mol: |
20.46 |
Dipole, Da: |
5.28 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.757735 |
Charge, e: |
0 |
Chem-info
IUPAC name:
4,14-dihydroxy-17,30-diazaundecacyclo[27.15.0.02,18.03,16.06,15.08,13.019,28.021,26.031,44.032,41.034,39]tetratetracontane-7,20,27,37-tetrone