Geometry & MOs

Info

ID:	85145
PubChem CID:	49872074
Reduced:	ON3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	527.243359
ΔH_f, kcal/mol:	43.69
Dipole, Da:	3.17
IP(EA), eV:	-8.51(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)-2-(2-pyridin-2-ylethylamino)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=C(C=C3)NC(=O)CN

DOS

IR

Vibrations