Geometry & MOs

Info

ID:

447956

PubChem CID:

135287133

Reduced:

OF3N8H21C28 (1)

Stoich.:

AB3C8D21E28 (1)

Weight, g/mol:

564.262217

ΔHf, kcal/mol:

26.87

Dipole, Da:

12.12

IP(EA), eV:

 -8.86(-2.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C/5\N=C6C=NC=C(C6=N5)C7=CC(=CC(=C7)F)O

DOS

IR

Vibrations