Geometry & MOs

Info

ID:

308994

PubChem CID:

126533687

Reduced:

FON10H31C32 (1)

Stoich.:

ABC10D31E32 (1)

Weight, g/mol:

562.2241

ΔHf, kcal/mol:

147.97

Dipole, Da:

5.19

IP(EA), eV:

 -8.81(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=CN=CC4=N/C(=C/5\C6=C(NN5)N=CC(=C6)C7=CN=CC(=N7)N8CC(C8)N)/C=C34)F

DOS

IR

Vibrations