Geometry & MOs
Info
ID: |
41074 |
PubChem CID: |
8145212 |
Reduced: |
OSN5C20H30 (1) |
Stoich.: |
ABC5D20E30 (1) |
Weight, g/mol: |
387.209282 |
ΔHf, kcal/mol: |
41.36 |
Dipole, Da: |
5.31 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.815050 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-thione