Geometry & MOs
Info
ID: |
308071 |
PubChem CID: |
125316838 |
Reduced: |
OC9H11 (1) |
Stoich.: |
AB9C11 (1) |
Weight, g/mol: |
417.09139 |
ΔHf, kcal/mol: |
16.8 |
Dipole, Da: |
2.14 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.978462 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6S)-6-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-2,5-dimethyl-6H-thieno[2,3-d]pyrimidin-4-one