Geometry & MOs

Info

ID:	425729
PubChem CID:	135127642
Reduced:	NO4C18H29 (1)
Stoich.:	AB4C18D29 (1)
Weight, g/mol:	369.08009
ΔH_f, kcal/mol:	-161.18
Dipole, Da:	1.99
IP(EA), eV:	-10.08(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S)-5-(hydroxymethyl)-2-(2-iodoethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C#C[C@H](CCC1CC1C)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations