Geometry & MOs

Info

ID:	443175
PubChem CID:	135257978
Reduced:	OPCl2N6H17C19 (1)
Stoich.:	ABC2D6E17F19 (1)
Weight, g/mol:	440.9741
ΔH_f, kcal/mol:	46.98
Dipole, Da:	8.12
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-1-(4-iodophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)Cl)CC4=NC=CN4PC

DOS

IR

Vibrations