Geometry & MOs

Info

ID:	167335
PubChem CID:	74811167
Reduced:	ON8C23H33 (1)
Stoich.:	AB8C23D33 (1)
Weight, g/mol:	383.190558
ΔH_f, kcal/mol:	79.8
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806367
Charge, e:	1

Chem-info

IUPAC name:

6-methyl-N-[1-(3-phenylpropyl)piperidin-1-ium-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC2=NN=NN2CCCC(=O)NC(CN3C=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations