Project Summary (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

QUANTUM MECHANICS

Experimental energy

ΔΔG QM B3LYP (kcal/mol)	2.4930

Conformations Table

CN	EM	EM(370K)	DG B3LYP	RMSd Cl	RMSd Exp
1	0	0	0	0.0793	0.1601
2	1.624	2.0026	1.3525	0.1290	0.3357
3	2.034	2.5083	0.5213	0.2030	0.2140
4	2.089	2.5763	2.4546	0.0975	0.4657

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Experimental Structure

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BioActive Compounds Energies

CL vs CL

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(1s,4s)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (SRE) Summary