Geometry & MOs
Info
ID: |
400581 |
PubChem CID: |
135048397 |
Reduced: |
O3C17H22 (1) |
Stoich.: |
A3B17C22 (1) |
Weight, g/mol: |
512.325023 |
ΔHf, kcal/mol: |
-71.3 |
Dipole, Da: |
3.81 |
IP(EA), eV: |
-8.48(-0.07) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]methanimine