Geometry & MOs

Info

ID:

432864

PubChem CID:

135173001

Reduced:

FOSN8H19C25 (1)

Stoich.:

ABCD8E19F25 (1)

Weight, g/mol:

516.250984

ΔHf, kcal/mol:

159.46

Dipole, Da:

10.02

IP(EA), eV:

 -8.74(-2.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-[7-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

C1CC1C(NC2=CN=CC(=C2)C3=NC=C4C(=C3F)/C(=C\5/N=C6C=NC=C(C6=N5)C7=CC=CS7)/NN4)O

DOS

IR

Vibrations