Geometry & MOs

Info

ID:

449366

PubChem CID:

135298009

Reduced:

FON8H27C30 (1)

Stoich.:

ABC8D27E30 (1)

Weight, g/mol:

546.229186

ΔHf, kcal/mol:

100.3

Dipole, Da:

13.3

IP(EA), eV:

 -8.68(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-(3-fluoro-5-methylphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC(C)(C)C)NN4)/N=C23

DOS

IR

Vibrations