Geometry & MOs

Info

ID:

444194

PubChem CID:

135261659

Reduced:

FON6H17C25 (1)

Stoich.:

ABC6D17E25 (1)

Weight, g/mol:

604.307436

ΔHf, kcal/mol:

126.72

Dipole, Da:

3.1

IP(EA), eV:

 -8.53(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=NC=CN=C6)/C=C32)F

DOS

IR

Vibrations