Geometry & MOs

Info

ID:	308746
PubChem CID:	126522442
Reduced:	FN7H16C23 (1)
Stoich.:	AB7C16D23 (1)
Weight, g/mol:	412.090644
ΔH_f, kcal/mol:	177.08
Dipole, Da:	4.8
IP(EA), eV:	-8.54(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=C(C=C6)F)/NN3

DOS

IR

Vibrations