Geometry & MOs

Info

ID:	37108
PubChem CID:	8016964
Reduced:	F3N3O3C17H20 (1)
Stoich.:	A3B3C3D17E20 (1)
Weight, g/mol:	317.094934
ΔH_f, kcal/mol:	-279.83
Dipole, Da:	4.55
IP(EA), eV:	-10.02(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,5-dichlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NCC(F)(F)F)C2=CC=CC=C2

DOS

IR

Vibrations