Geometry & MOs

Info

ID:

448247

PubChem CID:

135289604

Reduced:

FON11H28C29 (1)

Stoich.:

ABC11D28E29 (1)

Weight, g/mol:

576.287369

ΔHf, kcal/mol:

175.58

Dipole, Da:

9.47

IP(EA), eV:

 -8.61(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridin-7-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=N6)N7CC(C7)N)NN4)/N=C23)F

DOS

IR

Vibrations