Geometry & MOs

Info

ID:

443896

PubChem CID:

135260317

Reduced:

FON7H20C25 (1)

Stoich.:

ABC7D20E25 (1)

Weight, g/mol:

575.29212

ΔHf, kcal/mol:

118.21

Dipole, Da:

5.37

IP(EA), eV:

 -8.52(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OC

DOS

IR

Vibrations