分子模型图,4-甲基-2-戊醇,十二丙氨酸醇.doc

4－甲基－2－戊醇线状模型 4－甲基－2－戊醇棒状模型 4－甲基－2－戊醇球棍模型 4－甲基－2－戊醇圆柱模型 十二丙氨酸醇线状模型 十二丙氨酸醇棒状模型 十二丙氨酸醇球棍模型 十二丙氨酸醇圆柱模型 Warning: Arbitrary dihedral chosen for C-C-O-C C(2)-C(3)-O(11)-C(12) Warning: Arbitrary dihedral chosen for C-O-C-O C(3)-O(11)-C(12)-O(13) Warning: Arbitrary dihedral chosen for C-C-O-H C(2)-C(1)-O(9)-H(10) Adding lone pairs to O O(11) Adding lone pairs to O O(9) Pi System: 6 5 4 3 7 2 1 8 Warning: Some parameters are guessed (Quality = 1). Iteration 625: Minimization terminated in error because of repeated or severe errors from the line search Stretch: 0.8868 Bend: 2.4988 Stretch-Bend: 0.0256 Torsion: 0.5495 Non-1,4 VDW: -0.6486 1,4 VDW: 7.0141 Dipole/Dipole: 7.4781 Total: 17.8042 Property Server: ChemPropPro Parameters: Method= Best Estimate Boiling Point: 589.047 K Property Server: ChemPropPro Parameters: Method= Best Estimate Boiling Point: 589.047 K Property Server: ChemPropStd Parameters: Probe Radius= 1.4 Connolly Solvent-Excluded Volume: 134.521 Angstroms Cubed Property Server: ChemPropPro Parameters: Method= Best Estimate Boiling Point: 589.047 K Melting Point: 432.56 K Property Server: ChemPropStd Parameters: Probe Radius= 1.4 Connolly Solvent-Excluded Volume: 134.521 Angstroms Cubed Molecular Weight: 180.161 Atomic Mass Units Property Server: ChemPropPro Parameters: Method= Best Estimate Boiling Point: 589.047 K Melting Point: 432.56 K Property Server: ChemPropStd Parameters: Probe Radius= 1.4 Connolly Solvent-Excluded Volume: 134.521 Angstroms Cubed Molecular Weight: 180.161 Atomic Mass Units Warning: Some parameters are guessed (Quality = 1). Iteration 262: Minimization terminated normally because the gradient norm is less than the minimum gradient norm Stretch: 8.2315 Bend: 64.6742 Stretch-Bend: -3.1052 Torsion: