Geometry & MOs

Info

ID:

427648

PubChem CID:

135160939

Reduced:

NC4H5 (7)

Stoich.:

AB4C5 (7)

Weight, g/mol:

522.250315

ΔHf, kcal/mol:

108.42

Dipole, Da:

4.39

IP(EA), eV:

 -8.33(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-fluoro-3,5-dimethoxy-N-[6-(methylideneamino)-5-[2-(1-methylpyrazol-4-yl)ethylideneamino]pyridin-2-yl]anilino)-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)N(CCN2CCCCC2)C3=NC4=NC(=CN=C4C=C3)C5=CN(N=C5)C)CC

DOS

IR

Vibrations