Geometry & MOs
Info
ID: |
435811 |
PubChem CID: |
135192481 |
Reduced: |
Cl2N3C10H11 (1) |
Stoich.: |
A2B3C10D11 (1) |
Weight, g/mol: |
575.252399 |
ΔHf, kcal/mol: |
59.72 |
Dipole, Da: |
1.27 |
IP(EA), eV: |
-8.45(-0.25) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3E)-10-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]-5-chlorophenyl]-5-methyl-6-oxopyrimidin-1-yl]-3-(aminomethylidene)-6-methyl-2-methylimino-4,12-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one