Accuracy

methyl methoxy palladium(ii)   5194 Methyl methoxy palladium(II)

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    #  Species Formula
  5184 Pd(II)(CN)4(2-) (EATCPD)C4N4Pd
  5185 Pd(II)N4(2+) (KUXSIF) (Geo)C8H12N4Pd
  5186 Pd(II)N4(2+) (KUXSIF)C8H12N4Pd
  5187 Pd(II)N4(2+) (BUXSIW) (Geo)C10H20N4Pd
  5188 Pd(II)(CN)2N2 (JARCEK) (Geo)C12H8N4Pd
  5189 Pd(II)(CN)2N2 (JARCEK)C12H8N4Pd
  5190 Pd(II)(NH3)6H18N6Pd
  5191 Pd(II)(NH3)6 (Geo)H18N6Pd
  5192 Palladium hydride hydroxide (Geo)H2OPd
  5193 Pd-CO (Geo)COPd
  5194 Methyl methoxy palladium(II) C2H6OPd
  5195 Methyl methoxy palladium(II) (Geo)C2H6OPd
  5196 Palladium dioxide (Geo)O2Pd
  5197 Palladium(II) tetraquoH8O4Pd
  5198 Palladium(II) tetraquo (Geo)H8O4Pd
  5199 Pd(CO)4C4O4Pd
  5200 Pd(CO)4 (Geo)C4O4Pd
  5201 Pd(II)(Me2O)(OMe)(H2O)(Me2CO)C6H17O4Pd
  5202 Pd(II)O4 (EWOSUE) (Geo)C10H8N2O4Pd
  5203 Pd(II)O4 (EWOSUE)C10H8N2O4Pd
  5204 Pd(II)N4 (BZQXPD01) (Geo)C12H10N4O4Pd


ΔHf: 18.0 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
Dipole: 1.7 Debye,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 SHIFT=80 PULAY PM7
Methyl methoxy palladium(II)
 H=17.98 HR=PW91D D=1.68 DR=PW91D
 Pd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.19672133 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.26199423 +1   71.4896621 +1    0.0000000 +0     2     1     0
  C     1.93997284 +1  165.9016662 +1  174.9233886 +1     1     2     3
  H     1.08801142 +1  117.7895134 +1  -90.9755871 +1     3     2     1
  H     2.39465281 +1   63.2114209 +1   50.2212168 +1     3     2     5
  H     1.08246188 +1  118.6244894 +1  147.2299344 +1     3     2     6
  H     1.06901446 +1  143.3862648 +1  172.2043279 +1     4     1     6
  H     1.09122835 +1   87.1422889 +1  128.8866974 +1     4     1     8
  H     1.10412185 +1   81.2472249 +1  112.4201073 +1     4     1     9