Geometry & MOs

Info

ID:	308804
PubChem CID:	126522742
Reduced:	N3H10C12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	502.191738
ΔH_f, kcal/mol:	186.94
Dipole, Da:	5.96
IP(EA), eV:	-8.54(-1.89)
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]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

C1CNCC=C1C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CN=CC=C6

DOS

IR

Vibrations