Geometry & MOs

Info

ID:

449921

PubChem CID:

135302552

Reduced:

F2N10H26C27 (1)

Stoich.:

A2B10C26D27 (1)

Weight, g/mol:

572.20845

ΔHf, kcal/mol:

131.57

Dipole, Da:

4.55

IP(EA), eV:

 -7.79(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3E)-3-[4-(3-fluoro-5-methoxyphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

C/C(=C/N(C)C1=NC=CC2=N/C(=C\3/C4=C(C=CC(=N4)C5=CN=CC(=C5)CN6CCC(C6)(F)F)NN3)/N=C21)/N=C

DOS

IR

Vibrations