Geometry & MOs

Info

ID:	55353
PubChem CID:	17395279
Reduced:	BrO3N4H11C15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	34.31
Dipole, Da:	8.08
IP(EA), eV:	-9.29(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)COC3=CC=C(C=C3)N4C=NN=N4)Br

DOS

IR

Vibrations