Geometry & MOs

Info

ID:	289810
PubChem CID:	104374245
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	235.095691
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	2.75
IP(EA), eV:	-9.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1)C2=NC(=NO2)C3COCCN3

DOS

IR

Vibrations