Geometry & MOs

Info

ID:	444163
PubChem CID:	135261555
Reduced:	FN7H16C24 (1)
Stoich.:	AB7C16D24 (1)
Weight, g/mol:	490.193966
ΔH_f, kcal/mol:	165.68
Dipole, Da:	4.82
IP(EA), eV:	-8.66(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(5-methylthiophen-2-yl)indol-2-ylidene]-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)N)/C=C32)F

DOS

IR

Vibrations