Geometry & MOs
Info
ID: |
84748 |
PubChem CID: |
49869623 |
Reduced: |
NC30H56 (1) |
Stoich.: |
AB30C56 (1) |
Weight, g/mol: |
419.175753 |
ΔHf, kcal/mol: |
70.1 |
Dipole, Da: |
14.62 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.754489 |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[(5-fluoropyridin-2-yl)methoxy]-2-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]indol-8-yl)pyridazin-3-one