Geometry & MOs

Info

ID:

444143

PubChem CID:

135261460

Reduced:

FON8H25C28 (1)

Stoich.:

ABC8D25E28 (1)

Weight, g/mol:

561.228851

ΔHf, kcal/mol:

128.07

Dipole, Da:

5.79

IP(EA), eV:

 -8.6(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3Z)-3-[4-(3-fluoro-5-hydroxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C\5/C6=CC(=NC=C6NN5)C7=CNN=C7)/C=C43)F

DOS

IR

Vibrations