Geometry & MOs
Info
ID: |
396574 |
PubChem CID: |
135028791 |
Reduced: |
N2C4H11 (1) |
Stoich.: |
A2B4C11 (1) |
Weight, g/mol: |
278.188195 |
ΔHf, kcal/mol: |
32.51 |
Dipole, Da: |
2.18 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.752065 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(E)-5-[(5aS,6S,8aR)-2-hydroxy-5a-methyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-cyclopenta[b]oxepin-6-yl]-2-methylpent-2-enal