Geometry & MOs

Info

ID:	89492
PubChem CID:	49962076
Reduced:	ClNC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	186.104952
ΔH_f, kcal/mol:	30.16
Dipole, Da:	1.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750031
Charge, e:	-1

Chem-info

IUPAC name:

(2S,6R)-4,6-dimethyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations