Geometry & MOs

Info

ID:	284867
PubChem CID:	104079015
Reduced:	BrSN2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	53.22
Dipole, Da:	1.89
IP(EA), eV:	-9.05(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopentylpiperidin-4-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1CNCC(C1C2=NC=CS2)C3=CC=CC=C3Br

DOS

IR

Vibrations