Geometry & MOs

Info

ID:

432867

PubChem CID:

135173004

Reduced:

OSN7H21C24 (1)

Stoich.:

ABC7D21E24 (1)

Weight, g/mol:

486.138657

ΔHf, kcal/mol:

166.5

Dipole, Da:

7.79

IP(EA), eV:

 -8.54(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-(7-thiophen-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CN=CC3=C2N=C(N3)C4=C(C(=C)N=N4)/C=C(/C5=CC(=CN=C5)OC)\NC

DOS

IR

Vibrations