Geometry & MOs

Info

ID:	308840
PubChem CID:	126522875
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	575.280887
ΔH_f, kcal/mol:	-22.21
Dipole, Da:	5.99
IP(EA), eV:	-8.68(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C3NC4=CC=CC=C4N3C=C2CN1C(=O)O

DOS

IR

Vibrations