Geometry & MOs
Info
ID: |
42820 |
PubChem CID: |
8150055 |
Reduced: |
SN3O3C21H26 (1) |
Stoich.: |
AB3C3D21E26 (1) |
Weight, g/mol: |
399.161663 |
ΔHf, kcal/mol: |
-48.09 |
Dipole, Da: |
6.97 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.865813 |
Charge, e: |
0 |
Chem-info
IUPAC name:
10-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one