Geometry & MOs

Info

ID:	19868
PubChem CID:	574428
Reduced:	ClSN3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	263.028396
ΔH_f, kcal/mol:	81.91
Dipole, Da:	2.32
IP(EA), eV:	-9.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1,4-dimethyl-3-thiophen-2-ylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=NN2C)C3=CC=CS3)Cl

DOS

IR

Vibrations