Geometry & MOs

Info

ID:

447936

PubChem CID:

135286952

Reduced:

FO2N9H30C32 (1)

Stoich.:

AB2C9D30E32 (1)

Weight, g/mol:

632.302351

ΔHf, kcal/mol:

82.93

Dipole, Da:

4.53

IP(EA), eV:

 -8.83(-2.38)

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-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC(=CC(=C6)F)OCCN7CCCC7

DOS

IR

Vibrations