Geometry & MOs
Info
ID: |
229705 |
PubChem CID: |
87568565 |
Reduced: |
SiO3C7H13 (1) |
Stoich.: |
AB3C7D13 (1) |
Weight, g/mol: |
365.235479 |
ΔHf, kcal/mol: |
-73.5 |
Dipole, Da: |
0.9 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.763678 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(8R,9R,10R,13S,14R)-6-(hydroxymethyl)-10,13,17-trimethyl-15,16-dimethylidene-3-oxo-2,6,7,8,9,11,12,14-octahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile