Geometry & MOs
Info
ID: |
45038 |
PubChem CID: |
10507438 |
Reduced: |
NO2C32H68 (1) |
Stoich.: |
AB2C32D68 (1) |
Weight, g/mol: |
578.317829 |
ΔHf, kcal/mol: |
-191.76 |
Dipole, Da: |
1.63 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.750778 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-1-one