Geometry & MOs

Info

ID:

309063

PubChem CID:

126535794

Reduced:

FOSN7H22C27 (1)

Stoich.:

ABCD7E22F27 (1)

Weight, g/mol:

564.262217

ΔHf, kcal/mol:

135.76

Dipole, Da:

10.77

IP(EA), eV:

 -8.63(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[(2Z)-2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CC=C(S7)F

DOS

IR

Vibrations