Geometry & MOs
Info
ID: |
125212 |
PubChem CID: |
50915288 |
Reduced: |
N3O4C11H19 (1) |
Stoich.: |
A3B4C11D19 (1) |
Weight, g/mol: |
508.363813 |
ΔHf, kcal/mol: |
-108.12 |
Dipole, Da: |
11.05 |
IP(EA), eV: |
-9.0(-0.18) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate;2-hydroxyethyl(trimethyl)azanium