Geometry & MOs

Info

ID:	89489
PubChem CID:	49962073
Reduced:	ClNC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	221.21435
ΔH_f, kcal/mol:	8.83
Dipole, Da:	2.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-6-hexyl-4-methyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine

Drug info:

PubChemData

Smile

CCCCCC[C@@H]1C=C(C[C@@H](N1)CC=C)C.[Cl-]

DOS

IR

Vibrations