Geometry & MOs
Info
ID: |
42572 |
PubChem CID: |
8149719 |
Reduced: |
OS2N3C15H16 (1) |
Stoich.: |
AB2C3D15E16 (1) |
Weight, g/mol: |
357.114713 |
ΔHf, kcal/mol: |
60.68 |
Dipole, Da: |
5.35 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.755131 |
Charge, e: |
0 |
Chem-info
IUPAC name:
10-[(3,4-dimethoxyanilino)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one