Geometry & MOs
Info
ID: |
231864 |
PubChem CID: |
87574812 |
Reduced: |
SeO2C5H7 (1) |
Stoich.: |
AB2C5D7 (1) |
Weight, g/mol: |
918.353952 |
ΔHf, kcal/mol: |
-49.14 |
Dipole, Da: |
1.66 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.768182 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[8-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepin-5-yl] 4-[7-[5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]butanoate