Geometry & MOs

Info

ID:	441659
PubChem CID:	135238978
Reduced:	ClF3O3N4C19H20 (1)
Stoich.:	AB3C3D4E19F20 (1)
Weight, g/mol:	448.212393
ΔH_f, kcal/mol:	-217.78
Dipole, Da:	2.31
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E)-3-[4-(4-methylimidazol-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]-N-propan-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](/C(=N/OCCO)/N)NC(=O)NC2=CC=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations