Geometry & MOs

Info

ID:	42029
PubChem CID:	8148195
Reduced:	SN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-21.1
Dipole, Da:	15.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.261490
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[NH+](C1)CC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations