Geometry & MOs

Info

ID:	308950
PubChem CID:	126532463
Reduced:	O2N7H19C25 (1)
Stoich.:	A2B7C19D25 (1)
Weight, g/mol:	442.101208
ΔH_f, kcal/mol:	127.81
Dipole, Da:	6.05
IP(EA), eV:	-8.83(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=COC=C6)N=C2

DOS

IR

Vibrations