Geometry & MOs

Info

ID:	188849
PubChem CID:	77774294
Reduced:	NPO7C12H20 (1)
Stoich.:	ABC7D12E20 (1)
Weight, g/mol:	313.013282
ΔH_f, kcal/mol:	-409.02
Dipole, Da:	3.15
IP(EA), eV:	-10.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CCC(C3C2C(C1)C(=O)NC3=O)O.OP(=O)(O)O

DOS

IR

Vibrations