Geometry & MOs

Info

ID:

309755

PubChem CID:

126557187

Reduced:

N4H11C13 (2)

Stoich.:

A4B11C13 (2)

Weight, g/mol:

519.279824

ΔHf, kcal/mol:

218.43

Dipole, Da:

7.02

IP(EA), eV:

 -8.62(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,5E)-5-[(3Z)-3-[4-[(1E)-1-(2-fluorophenyl)buta-1,3-dienyl]-5-methylpyrrol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-N-(3-methylbut-1-en-2-yl)hepta-1,3,5-trien-3-amine

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=CC=NC5=N4)C6=CN=CC=C6)N=C2

DOS

IR

Vibrations