Geometry & MOs

Info

ID:	48943
PubChem CID:	11528503
Reduced:	ClNOC9H20 (1)
Stoich.:	ABCD9E20 (1)
Weight, g/mol:	157.146664
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	3.9
IP(EA), eV:	-9.9(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-1-hydroxy-2-methyl-6-propylpiperidine

Drug info:

PubChemData

Smile

CCC[C@@H]1CCC[C@@H](N1O)C.Cl

DOS

IR

Vibrations