Geometry & MOs

Info

ID:

309032

PubChem CID:

126535097

Reduced:

OSN6H28C31 (1)

Stoich.:

ABC6D28E31 (1)

Weight, g/mol:

451.155686

ΔHf, kcal/mol:

130.04

Dipole, Da:

7.77

IP(EA), eV:

 -8.33(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-7-(3-fluoro-5-methoxyphenyl)-2-[5-(4-methylpyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCCC7)/C=C32

DOS

IR

Vibrations