Geometry & MOs

Info

ID:

448077

PubChem CID:

135288243

Reduced:

ON10C28H32 (1)

Stoich.:

AB10C28D32 (1)

Weight, g/mol:

617.266299

ΔHf, kcal/mol:

165.49

Dipole, Da:

5.52

IP(EA), eV:

 -8.11(-2.06)

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]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)OCCN7CCCC7)NN4)/N=C32

DOS

IR

Vibrations