Geometry & MOs
Info
ID: |
382513 |
PubChem CID: |
134973722 |
Reduced: |
OC8H13 (1) |
Stoich.: |
AB8C13 (1) |
Weight, g/mol: |
417.194008 |
ΔHf, kcal/mol: |
-41.96 |
Dipole, Da: |
2.44 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.908203 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,8R,9R,13S)-1-[(E)-2-methoxyhept-2-en-3-yl]-11-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione