Geometry & MOs

Info

ID:	437251
PubChem CID:	135218277
Reduced:	ClO2N7C24H26 (1)
Stoich.:	AB2C7D24E26 (1)
Weight, g/mol:	524.172752
ΔH_f, kcal/mol:	0.64
Dipole, Da:	13.7
IP(EA), eV:	-8.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-naphthalen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=C1)C2=CC(=NC(=N2)C(=N)C3=C(N=CC(=C3)Cl)N)NC4C5CCC(C4C(=O)O)CC5

DOS

IR

Vibrations