Geometry & MOs
Info
ID: |
166361 |
PubChem CID: |
74676912 |
Reduced: |
BrFN2O2C17H25 (1) |
Stoich.: |
ABC2D2E17F25 (1) |
Weight, g/mol: |
205.097703 |
ΔHf, kcal/mol: |
-93.63 |
Dipole, Da: |
5.47 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.753797 |
Charge, e: |
1 |
Chem-info
IUPAC name:
1,2,3,4,4a,8a-hexahydropyrrolo[1,2-a]benzimidazol-9-ium-7-carboxylic acid