Geometry & MOs

Info

ID:	421063
PubChem CID:	135115305
Reduced:	FN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-78.66
Dipole, Da:	3.5
IP(EA), eV:	-9.03(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[2-(2,4-dimethylphenoxy)ethyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)CN2C[C@@H]3COC[C@H](C2)NC3=O

DOS

IR

Vibrations