Geometry & MOs

Info

ID:	89491
PubChem CID:	49962075
Reduced:	ClNC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	214.136252
ΔH_f, kcal/mol:	19.87
Dipole, Da:	1.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

(2S,6R)-6-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations