Geometry & MOs

Info

ID:	289811
PubChem CID:	104374332
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	273.086189
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	7.31
IP(EA), eV:	-9.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C2C=NN(C2=NC=C1C(=O)O)C

DOS

IR

Vibrations