Geometry & MOs

Info

ID:

446063

PubChem CID:

135272107

Reduced:

FN6H17C25 (1)

Stoich.:

AB6C17D25 (1)

Weight, g/mol:

533.233937

ΔHf, kcal/mol:

157.63

Dipole, Da:

7.11

IP(EA), eV:

 -8.57(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC=NC=C6)NN4)/C=C32

DOS

IR

Vibrations