Geometry & MOs

Info

ID:

449257

PubChem CID:

135297210

Reduced:

FN6H17C25 (1)

Stoich.:

AB6C17D25 (1)

Weight, g/mol:

505.202637

ΔHf, kcal/mol:

156.79

Dipole, Da:

6.96

IP(EA), eV:

 -8.77(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CN=CC=C6)/C=C23

DOS

IR

Vibrations