Geometry & MOs

Info

ID:

308745

PubChem CID:

126522441

Reduced:

ON8H26C29 (1)

Stoich.:

AB8C26D29 (1)

Weight, g/mol:

409.145122

ΔHf, kcal/mol:

155.69

Dipole, Da:

7.28

IP(EA), eV:

 -8.81(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CN=CC=C6)/NN3

DOS

IR

Vibrations