Geometry & MOs

Info

ID:

309012

PubChem CID:

126534481

Reduced:

ON7H27C30 (1)

Stoich.:

AB7C27D30 (1)

Weight, g/mol:

637.260151

ΔHf, kcal/mol:

167.61

Dipole, Da:

5.36

IP(EA), eV:

 -8.49(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=CN=CC=C7)N=C3

DOS

IR

Vibrations