Geometry & MOs

Info

ID:	399217
PubChem CID:	135038830
Reduced:	ISN2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	70.98
Dipole, Da:	3.56
IP(EA), eV:	-8.58(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5S)-1-butyl-5-ethyl-3-(hydroxymethyl)-3-methylpiperidin-4-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=S)NCC2=CC=CC=C2I

DOS

IR

Vibrations