Geometry & MOs
Info
ID: |
229607 |
PubChem CID: |
87568148 |
Reduced: |
O2C18H31 (2) |
Stoich.: |
A2B18C31 (2) |
Weight, g/mol: |
481.160219 |
ΔHf, kcal/mol: |
-242.99 |
Dipole, Da: |
9.91 |
IP(EA), eV: |
-9.4(0.51) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[4-[(E)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]-1,3-dihydropyrazol-2-yl]propanoic acid;hydrochloride