Geometry & MOs
Info
ID: |
310031 |
PubChem CID: |
126573001 |
Reduced: |
O2C5H5 (2) |
Stoich.: |
A2B5C5 (2) |
Weight, g/mol: |
601.367971 |
ΔHf, kcal/mol: |
-59.69 |
Dipole, Da: |
5.43 |
IP(EA), eV: |
-9.25(-1.08) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-[(2-fluoro-3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid