Geometry & MOs
Info
ID: |
408533 |
PubChem CID: |
135081299 |
Reduced: |
NOTeH4C6 (1) |
Stoich.: |
ABCD4E6 (1) |
Weight, g/mol: |
252.046967 |
ΔHf, kcal/mol: |
49.97 |
Dipole, Da: |
4.09 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.590530 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-phenyl-2-thia-5,9,11,12-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene