Geometry & MOs

Info

ID:	188663
PubChem CID:	77751390
Reduced:	NF3O4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	-315.92
Dipole, Da:	5.94
IP(EA), eV:	-9.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylthiophen-2-yl)-6-propyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C(CCC1=CC=CC=C1)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations