Geometry & MOs

Info

ID:	234316
PubChem CID:	92298159
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	305.235479
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	2.2
IP(EA), eV:	-8.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)SCC3=CC=CC=C3

DOS

IR

Vibrations