Geometry & MOs

Info

ID:	434858
PubChem CID:	135175850
Reduced:	NO3C13H14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	398.108044
ΔH_f, kcal/mol:	-178.81
Dipole, Da:	3.48
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(5-methyl-1H-indazol-4-yl)-3-(2-methylpiperazin-1-yl)-[1,2]thiazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(CC(=O)O)C(=O)/C=C/OC(=O)CN(C2=CC=CC=C2CC)C(=O)C=C

DOS

IR

Vibrations