Geometry & MOs

Info

ID:

447979

PubChem CID:

135287302

Reduced:

OSN8H20C29 (1)

Stoich.:

ABC8D20E29 (1)

Weight, g/mol:

456.128092

ΔHf, kcal/mol:

216.5

Dipole, Da:

5.65

IP(EA), eV:

 -8.63(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[7-(5-fluorothiophen-2-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\N=C6C=NC=C(C6=N5)C7=CSC=C7

DOS

IR

Vibrations