Geometry & MOs
Info
ID: |
312136 |
PubChem CID: |
126603335 |
Reduced: |
IN2C8H17 (1) |
Stoich.: |
AB2C8D17 (1) |
Weight, g/mol: |
719.43837 |
ΔHf, kcal/mol: |
8.07 |
Dipole, Da: |
2.75 |
IP(EA), eV: |
-8.22(-1.4) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[5-tert-butyl-2-[1-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]pyrazol-4-yl]pyrazol-3-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea