Geometry & MOs

Info

ID:	308848
PubChem CID:	126522918
Reduced:	FON6H25C29 (1)
Stoich.:	ABC6D25E29 (1)
Weight, g/mol:	404.138559
ΔH_f, kcal/mol:	108.31
Dipole, Da:	9.23
IP(EA), eV:	-8.53(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)F)OC

DOS

IR

Vibrations