Geometry & MOs
Info
ID: |
435760 |
PubChem CID: |
135192356 |
Reduced: |
NC11H15 (1) |
Stoich.: |
AB11C15 (1) |
Weight, g/mol: |
664.210041 |
ΔHf, kcal/mol: |
37.0 |
Dipole, Da: |
1.75 |
IP(EA), eV: |
-8.73(0.06) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3E)-10-[4-[2-[amino-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]amino]-5-chlorophenyl]-6-oxopyrimidin-1-yl]-3-(aminomethylidene)-7,13-difluoro-6-methyl-2-methylimino-4-azabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-5-one