Geometry & MOs

Info

ID:

444131

PubChem CID:

135261429

Reduced:

ON7H15C23 (1)

Stoich.:

AB7C15D23 (1)

Weight, g/mol:

576.276136

ΔHf, kcal/mol:

183.37

Dipole, Da:

4.77

IP(EA), eV:

 -8.56(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-[(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations