Geometry & MOs

Info

ID:

449196

PubChem CID:

135296739

Reduced:

FN7H24C28 (1)

Stoich.:

AB7C24D28 (1)

Weight, g/mol:

533.233937

ΔHf, kcal/mol:

153.01

Dipole, Da:

5.2

IP(EA), eV:

 -8.68(-2.08)

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-b]pyridin-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CN(C)C)/C=C23

DOS

IR

Vibrations