Geometry & MOs

Info

ID:	132800
PubChem CID:	51423000
Reduced:	NCl2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754735
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

C[C@H]1CCC[NH+](C1)C[C@@H](COC2=C(C=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations