Geometry & MOs

Info

ID:	39962
PubChem CID:	8143284
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	278.212004
ΔH_f, kcal/mol:	-0.2
Dipole, Da:	8.91
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-(3,5-dimethylphenoxy)-3-[(2R)-2-methylpiperidin-1-ium-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations