Geometry & MOs
Info
ID: |
174940 |
PubChem CID: |
75836543 |
Reduced: |
FO2N3C19H27 (1) |
Stoich.: |
AB2C3D19E27 (1) |
Weight, g/mol: |
399.228382 |
ΔHf, kcal/mol: |
-91.13 |
Dipole, Da: |
6.21 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.754637 |
Charge, e: |
1 |
Chem-info
IUPAC name:
methyl 2-[[4-[2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]phenyl]methyl-methylamino]acetate