Geometry & MOs

Info

ID:	132799
PubChem CID:	51422761
Reduced:	NO6C29H33 (1)
Stoich.:	AB6C29D33 (1)
Weight, g/mol:	318.102759
ΔH_f, kcal/mol:	-200.84
Dipole, Da:	8.86
IP(EA), eV:	-8.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-(2,4-dichlorophenoxy)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H]2C3=C(C[C@@H](CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OCCOC)C

DOS

IR

Vibrations