Geometry & MOs

Info

ID:

447877

PubChem CID:

135286508

Reduced:

ClO2F3N6H26C28 (1)

Stoich.:

AB2C3D6E26F28 (1)

Weight, g/mol:

519.218287

ΔHf, kcal/mol:

-142.49

Dipole, Da:

8.2

IP(EA), eV:

 -9.05(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(4-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(C=CC2=N1)C3=CN=C(N=C3)C(C)(C)O)NC(C4=C(C=CC(=C4)N5CCNC5=O)F)C(F)F)Cl

DOS

IR

Vibrations