Geometry & MOs

Info

ID:	289813
PubChem CID:	104374442
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	295.062677
ΔH_f, kcal/mol:	-74.06
Dipole, Da:	6.73
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxy-2-oxoethyl)sulfanyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCCNC1=C2C=NN(C2=NC=C1C(=O)O)C

DOS

IR

Vibrations