Geometry & MOs

Info

ID:

308887

PubChem CID:

126531779

Reduced:

FN7H28C31 (1)

Stoich.:

AB7C28D31 (1)

Weight, g/mol:

415.101543

ΔHf, kcal/mol:

156.99

Dipole, Da:

9.83

IP(EA), eV:

 -8.58(-1.98)

Spin(Sz, 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-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=CC=CC=C7F

DOS

IR

Vibrations