Geometry & MOs

Info

ID:

443872

PubChem CID:

135260238

Reduced:

F3O3N6H19C24 (1)

Stoich.:

A3B3C6D19E24 (1)

Weight, g/mol:

479.186987

ΔHf, kcal/mol:

-165.36

Dipole, Da:

7.84

IP(EA), eV:

 -9.15(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2E)-2-[5-[5-[(dimethylamino)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C(=CC(=C3)CN4C5=C(C(=CC=C5)F)C(=O)NC4=O)F)F

DOS

IR

Vibrations