Geometry & MOs

Info

ID:

319920

PubChem CID:

126657589

Reduced:

OSN8H30C31 (1)

Stoich.:

ABC8D30E31 (1)

Weight, g/mol:

480.218621

ΔHf, kcal/mol:

198.81

Dipole, Da:

4.54

IP(EA), eV:

 -8.29(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,3E)-4-[(3Z)-3-[7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]-1-(methylideneamino)-N-propan-2-ylpenta-1,3-dien-2-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)/C(=C/N)/C2=N/C(=C/3\C4=C(NN3)N=CC(=C4)C5=CN=CC(=C5)CNCC6CCCC6)/N=C2C#C

DOS

IR

Vibrations