Geometry & MOs

Info

ID:	308980
PubChem CID:	126533398
Reduced:	FN9H20C26 (1)
Stoich.:	AB9C20D26 (1)
Weight, g/mol:	406.134223
ΔH_f, kcal/mol:	195.21
Dipole, Da:	6.93
IP(EA), eV:	-8.84(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C2=NC(=CN=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CC=C(C=C7)F)N=C3)N

DOS

IR

Vibrations