Geometry & MOs

Info

ID:	308835
PubChem CID:	126522858
Reduced:	SN5H17C24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	507.218287
ΔH_f, kcal/mol:	196.65
Dipole, Da:	4.84
IP(EA), eV:	-8.44(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC=CC=N6)NN4)/C=C23

DOS

IR

Vibrations