Geometry & MOs

Info

ID:

449489

PubChem CID:

135299042

Reduced:

FN8H29C31 (1)

Stoich.:

AB8C29D31 (1)

Weight, g/mol:

561.240085

ΔHf, kcal/mol:

157.35

Dipole, Da:

7.13

IP(EA), eV:

 -8.7(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(3-fluoro-5-methylphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CNCC7CCCC7)NN4)/N=C32

DOS

IR

Vibrations