Geometry & MOs
Info
ID: |
84797 |
PubChem CID: |
49869965 |
Reduced: |
ClNO4C33H47 (1) |
Stoich.: |
ABC4D33E47 (1) |
Weight, g/mol: |
568.392133 |
ΔHf, kcal/mol: |
-162.22 |
Dipole, Da: |
3.38 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.290657 |
Charge, e: |
1 |
Chem-info
IUPAC name:
2-[(2-chlorophenyl)methyl]-6-methoxy-5-octoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium