Geometry & MOs
Info
ID: |
42714 |
PubChem CID: |
8149902 |
Reduced: |
OSN6C18H21 (1) |
Stoich.: |
ABC6D18E21 (1) |
Weight, g/mol: |
368.14193 |
ΔHf, kcal/mol: |
58.13 |
Dipole, Da: |
6.04 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.841412 |
Charge, e: |
0 |
Chem-info
IUPAC name:
10-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one