Geometry & MOs

Info

ID:	123229
PubChem CID:	50838597
Reduced:	O3N7H19C24 (1)
Stoich.:	A3B7C19D24 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	76.92
Dipole, Da:	2.74
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethyl-3-methyl-7-oxopyrazolo[3,4-c]pyridin-6-yl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C(=O)N(C3=NN(C(=O)N23)CC4=NC(=NO4)C5=CC=CC=C5)C)C6=CC=CC=C6

DOS

IR

Vibrations