Geometry & MOs

Info

ID:

309897

PubChem CID:

126566056

Reduced:

OSN7C23H31 (1)

Stoich.:

ABC7D23E31 (1)

Weight, g/mol:

556.213536

ΔHf, kcal/mol:

71.72

Dipole, Da:

6.6

IP(EA), eV:

 -8.09(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3E)-3-[4-(3-fluoro-5-methoxyphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]-1-phenylmethanamine

Drug info:

PubChemData

Smile

CN1C(NN=C1C2=NC=CN=C2)SCCCN3CC4CCN(C4C3)C5=CC(=CC=C5)OC

DOS

IR

Vibrations