Geometry & MOs

Info

ID:

308830

PubChem CID:

126522851

Reduced:

N7H25C32 (1)

Stoich.:

A7B25C32 (1)

Weight, g/mol:

615.275802

ΔHf, kcal/mol:

239.12

Dipole, Da:

4.42

IP(EA), eV:

 -8.64(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C(=CC=NC6=N5)C7=CC=NC=C7

DOS

IR

Vibrations