Geometry & MOs

Info

ID:	308857
PubChem CID:	126522940
Reduced:	FON6H27C32 (1)
Stoich.:	ABC6D27E32 (1)
Weight, g/mol:	311.117095
ΔH_f, kcal/mol:	90.07
Dipole, Da:	5.77
IP(EA), eV:	-8.6(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C(=CC=NC6=N5)C7=CC=C(C=C7)F

DOS

IR

Vibrations