Geometry & MOs
Info
ID: |
439767 |
PubChem CID: |
135229587 |
Reduced: |
NOC10H14 (1) |
Stoich.: |
ABC10D14 (1) |
Weight, g/mol: |
284.02727 |
ΔHf, kcal/mol: |
27.85 |
Dipole, Da: |
3.21 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.064023 |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-bromo-5-propyl-8,9-dihydro-7H-pyrazino[2,3-b][1,4]diazepin-6-one