Geometry & MOs

Info

ID:	308856
PubChem CID:	126522939
Reduced:	FSN6H15C22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	530.223038
ΔH_f, kcal/mol:	169.02
Dipole, Da:	3.59
IP(EA), eV:	-8.41(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC=C(S6)F

DOS

IR

Vibrations