Geometry & MOs
Info
ID: |
165575 |
PubChem CID: |
74569554 |
Reduced: |
SN3O3F5H11C21 (1) |
Stoich.: |
AB3C3D5E11F21 (1) |
Weight, g/mol: |
475.221954 |
ΔHf, kcal/mol: |
-161.69 |
Dipole, Da: |
4.67 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.049594 |
Charge, e: |
2 |
Chem-info
IUPAC name:
methyl-(1,2-oxazol-3-ylmethyl)-[[3-[1-(4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonyl)piperidin-4-yl]oxyphenyl]methyl]azanium