Geometry & MOs
Info
ID: |
443850 |
PubChem CID: |
135260160 |
Reduced: |
OC9H18 (2) |
Stoich.: |
AB9C18 (2) |
Weight, g/mol: |
780.216269 |
ΔHf, kcal/mol: |
-153.66 |
Dipole, Da: |
2.78 |
IP(EA), eV: |
-9.45(1.12) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[1-[3-[4-chloro-3-(cyanomethylamino)-1-methylindazol-7-yl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide