Geometry & MOs
Info
ID: |
148964 |
PubChem CID: |
53788634 |
Reduced: |
NC16H28 (1) |
Stoich.: |
AB16C28 (1) |
Weight, g/mol: |
393.125371 |
ΔHf, kcal/mol: |
21.58 |
Dipole, Da: |
1.45 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.789472 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[3-[4-amino-7-cyclopropyl-5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid