Geometry & MOs

Info

ID:	373289
PubChem CID:	131312718
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	282.99564
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	6.6
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-1-methylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1C(=O)C#N)Br)OC)OC

DOS

IR

Vibrations