Geometry & MOs

Info

ID:

446244

PubChem CID:

135273448

Reduced:

FON6H17C25 (1)

Stoich.:

ABC6D17E25 (1)

Weight, g/mol:

533.233937

ΔHf, kcal/mol:

113.98

Dipole, Da:

2.81

IP(EA), eV:

 -8.72(-2.25)

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[3,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)O)/C=C32

DOS

IR

Vibrations