Geometry & MOs

Info

ID:

432874

PubChem CID:

135173011

Reduced:

FO2N8H27C29 (1)

Stoich.:

AB2C8D27E29 (1)

Weight, g/mol:

528.185607

ΔHf, kcal/mol:

60.74

Dipole, Da:

5.45

IP(EA), eV:

 -8.83(-2.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/N=C5C=NC=C(C5=N4)C6=CC(=CC(=C6)F)OC)/NN3)O

DOS

IR

Vibrations