Geometry & MOs
Info
ID: |
150235 |
PubChem CID: |
53789922 |
Reduced: |
OPN2S2C8H18 (1) |
Stoich.: |
ABC2D2E8F18 (1) |
Weight, g/mol: |
304.182715 |
ΔHf, kcal/mol: |
-81.59 |
Dipole, Da: |
5.06 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.782222 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(13S)-17-but-1-ynyl-13-methyl-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-ol