Geometry & MOs

Info

ID:	305043
PubChem CID:	124766458
Reduced:	NCl2O6C15H19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	337.240565
ΔH_f, kcal/mol:	-268.65
Dipole, Da:	3.4
IP(EA), eV:	-9.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5R,6R)-4-butyl-3,5-dimethyl-2,6-diphenylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=C(C=C(C=C2)Cl)Cl)CO)O)O

DOS

IR

Vibrations