Geometry & MOs

Info

ID:	419712
PubChem CID:	135108806
Reduced:	ON3C26H43 (1)
Stoich.:	AB3C26D43 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	1.59
IP(EA), eV:	-8.13(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(2,3-dimethylphenoxy)ethyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)CN3CCC[C@@]4(C3)CCC[C@H]4OC)C

DOS

IR

Vibrations