Geometry & MOs
Info
ID: |
318778 |
PubChem CID: |
126653204 |
Reduced: |
N2C28H55 (1) |
Stoich.: |
A2B28C55 (1) |
Weight, g/mol: |
485.32938 |
ΔHf, kcal/mol: |
-89.02 |
Dipole, Da: |
1.66 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.756664 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1R)-1-(3-tert-butylphenyl)-5-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pentan-1-ol