TY - JOUR T1 - Clonidine Base: Evidence for Conjugation of Both Ring Systems JF - Molecular Pharmacology JO - Mol Pharmacol SP - 667 LP - 670 VL - 11 IS - 5 AU - C. M. MEERMAN-VAN BENTHEM AU - K. VAN DER MEER AU - J. J. C. MULDER AU - P. B. M. W. M. TIMMERMANS AU - P. A. VAN ZWIETEN Y1 - 1975/09/01 UR - http://molpharm.aspetjournals.org/content/11/5/667.abstract N2 - Complete neglect of differential overlap (CNDO/2) calculations were performed for clonidine base. For the ground state geometry the C-N and C=N distances of the ring junction proved to be 1.397 and 1.319 Å, respectively. For the angle C-N=C a value of 111.5° was calculated. For the angle between both rings we found a value of about 34°, indicating a nonperpendicular structure for this molecule. ACKNOWLEDGMENTS We thank the Central Computing Institute of the University of Leiden for a grant of computer time. Dr. J. Lugtenburg is thanked for valuable discussions. ER -