Geometry & MOs

Info

ID:

444142

PubChem CID:

135261459

Reduced:

FON7H16C24 (1)

Stoich.:

ABC7D16E24 (1)

Weight, g/mol:

508.213536

ΔHf, kcal/mol:

119.77

Dipole, Da:

2.69

IP(EA), eV:

 -8.71(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-5-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

C1=CN=C(C2=C/C(=C/3\C4=CC(=NC=C4NN3)C5=CC(=CN=C5)N)/N=C21)C6=CC(=CC(=C6)F)O

DOS

IR

Vibrations