Geometry & MOs

Info

ID:	42028
PubChem CID:	8148192
Reduced:	NO2C19H31 (1)
Stoich.:	AB2C19D31 (1)
Weight, g/mol:	347.179324
ΔH_f, kcal/mol:	-112.9
Dipole, Da:	2.34
IP(EA), eV:	-8.88(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC[C@@H](COC2=C(C=CC(=C2C)C)C)O

DOS

IR

Vibrations