Abstract
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.
- Copyright ©, 1975, by Academic Press, Inc.
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