Geometry & MOs

Info

ID:	444239
PubChem CID:	135261827
Reduced:	SN8H20C25 (1)
Stoich.:	AB8C20D25 (1)
Weight, g/mol:	441.105959
ΔH_f, kcal/mol:	238.23
Dipole, Da:	4.24
IP(EA), eV:	-8.42(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(5-fluorothiophen-2-yl)indol-2-ylidene]-5-(5-methoxypyridin-3-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(=N5)C=CC=C6C7=CSC=C7)N=C3)N

DOS

IR

Vibrations