Geometry & MOs

Info

ID:	201590
PubChem CID:	79560180
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	271.214744
ΔH_f, kcal/mol:	-120.98
Dipole, Da:	1.98
IP(EA), eV:	-9.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-hydroxypentan-2-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCCC1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations