Geometry & MOs

Info

ID:	261812
PubChem CID:	103252564
Reduced:	SCl2N3O3H11C12 (1)
Stoich.:	AB2C3D3E11F12 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	6.0
IP(EA), eV:	-8.62(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(OC1CNC2=C(C=C(C3=C2N=S=N3)Cl)Cl)C(=O)O

DOS

IR

Vibrations