Geometry & MOs

Info

ID:

427665

PubChem CID:

135161069

Reduced:

FO4N6C23H27 (1)

Stoich.:

AB4C6D23E27 (1)

Weight, g/mol:

506.202892

ΔHf, kcal/mol:

-69.21

Dipole, Da:

3.69

IP(EA), eV:

 -8.32(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(2,2-difluoroethyl)-1-(3,3,4,4,4-pentafluorobutyl)pyrazol-3-yl]-5-methyl-6-methylidene-5-pent-1-en-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)F)N(CCO)C2=NC(=C(C=C2)N=CCC3=CN(N=C3)CCO)N=C

DOS

IR

Vibrations