Geometry & MOs

Info

ID:	89488
PubChem CID:	49962071
Reduced:	ClNOC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	256.183203
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752729
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCC(CC=C)([C@H](CC1=CC=CC=C1)N)O.[Cl-]

DOS

IR

Vibrations