Geometry & MOs
Info
ID: |
42816 |
PubChem CID: |
8150049 |
Reduced: |
OS2N3C19H24 (1) |
Stoich.: |
AB2C3D19E24 (1) |
Weight, g/mol: |
373.128255 |
ΔHf, kcal/mol: |
19.58 |
Dipole, Da: |
15.3 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.919078 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[(1S)-1-(azocan-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one