Geometry & MOs
Info
ID: |
135589 |
PubChem CID: |
51897757 |
Reduced: |
N3C7H17 (1) |
Stoich.: |
A3B7C17 (1) |
Weight, g/mol: |
496.342684 |
ΔHf, kcal/mol: |
-1.22 |
Dipole, Da: |
1.8 |
IP(EA), eV: |
-8.15(2.6) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
[(3R,3aR,4aS,8aR,9aR)-8a-methyl-5-methylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-3-yl]methyl-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]azanium