Geometry & MOs

Info

ID:	308765
PubChem CID:	126522461
Reduced:	FN7H14C23 (1)
Stoich.:	AB7C14D23 (1)
Weight, g/mol:	412.181173
ΔH_f, kcal/mol:	187.13
Dipole, Da:	6.75
IP(EA), eV:	-8.74(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=NC=CN=C6)/C=C23)F

DOS

IR

Vibrations