Geometry & MOs

Info

ID:

447879

PubChem CID:

135286515

Reduced:

FON7H20C31 (1)

Stoich.:

ABC7D20E31 (1)

Weight, g/mol:

576.23975

ΔHf, kcal/mol:

155.63

Dipole, Da:

9.92

IP(EA), eV:

 -8.83(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]-2-piperidin-4-ylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=CC=C7F)/NN4

DOS

IR

Vibrations