Geometry & MOs

Info

ID:

448095

PubChem CID:

135288417

Reduced:

FON7H20C25 (1)

Stoich.:

ABC7D20E25 (1)

Weight, g/mol:

590.266634

ΔHf, kcal/mol:

113.2

Dipole, Da:

7.82

IP(EA), eV:

 -8.76(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)OC)N=C2

DOS

IR

Vibrations