Geometry & MOs
Info
ID: |
395878 |
PubChem CID: |
135026822 |
Reduced: |
O3N4C30H31 (1) |
Stoich.: |
A3B4C30D31 (1) |
Weight, g/mol: |
496.247441 |
ΔHf, kcal/mol: |
63.17 |
Dipole, Da: |
8.48 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.445894 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-(cyclopenta-2,4-dien-1-ylmethylamino)-4-[[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione