Geometry & MOs
Info
ID: |
380270 |
PubChem CID: |
134970670 |
Reduced: |
C2N2O2H3 (1) |
Stoich.: |
A2B2C2D3 (1) |
Weight, g/mol: |
414.08306 |
ΔHf, kcal/mol: |
4.17 |
Dipole, Da: |
4.64 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.774267 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylcyclohex-2-en-1-one