Geometry & MOs
Info
ID: |
58964 |
PubChem CID: |
24769849 |
Reduced: |
NC19H32 (1) |
Stoich.: |
AB19C32 (1) |
Weight, g/mol: |
668.430156 |
ΔHf, kcal/mol: |
9.74 |
Dipole, Da: |
2.26 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.950069 |
Charge, e: |
0 |
Chem-info
IUPAC name:
tert-butyl 4-ethyl-5-[[4-ethyl-5-[(Z)-[6-[3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate