Geometry & MOs

Info

ID:	441663
PubChem CID:	135239220
Reduced:	FON7C35H36 (1)
Stoich.:	ABC7D35E36 (1)
Weight, g/mol:	268.054945
ΔH_f, kcal/mol:	92.79
Dipole, Da:	7.27
IP(EA), eV:	-8.39(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)OC7CCCCC7)NN4)/C=C23)F

DOS

IR

Vibrations