Geometry & MOs
Info
ID: |
381806 |
PubChem CID: |
134972637 |
Reduced: |
NC6H6 (1) |
Stoich.: |
AB6C6 (1) |
Weight, g/mol: |
427.124215 |
ΔHf, kcal/mol: |
71.1 |
Dipole, Da: |
1.7 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.026713 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydrobenzo[g]isoquinolin-4-one