Geometry & MOs
Info
ID: |
400838 |
PubChem CID: |
135049211 |
Reduced: |
BClN4C15H19 (1) |
Stoich.: |
ABC4D15E19 (1) |
Weight, g/mol: |
533.232986 |
ΔHf, kcal/mol: |
17.57 |
Dipole, Da: |
3.27 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.795376 |
Charge, e: |
1 |
Chem-info
IUPAC name:
chloro-[3-[chloro-(1H-imidazol-3-ium-3-yl)-[(2S)-1-phenylpropan-2-yl]boranuidyl]imidazol-1-ium-1-yl]-(1H-imidazol-3-ium-3-yl)-[(2R)-1-phenylpropan-2-yl]boranuide