Geometry & MOs
Info
ID: |
186569 |
PubChem CID: |
77446003 |
Reduced: |
BrSN2O2C5H6 (1) |
Stoich.: |
ABC2D2E5F6 (1) |
Weight, g/mol: |
319.133907 |
ΔHf, kcal/mol: |
-19.41 |
Dipole, Da: |
8.6 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.774189 |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-(chloromethyl)-3-ethyl-9-propan-2-yloxy-1,2-dihydrobenzo[e]indol-5-ol