Geometry & MOs
Info
ID: |
146066 |
PubChem CID: |
53629713 |
Reduced: |
BrOC3H4 (1) |
Stoich.: |
ABC3D4 (1) |
Weight, g/mol: |
390.144038 |
ΔHf, kcal/mol: |
16.16 |
Dipole, Da: |
2.23 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.772313 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-quinolin-5-yl-1H-1,2,4-triazol-3-yl]urea