Geometry & MOs

Info

ID:

447836

PubChem CID:

135286137

Reduced:

FO2N8C33H33 (1)

Stoich.:

AB2C8D33E33 (1)

Weight, g/mol:

505.202637

ΔHf, kcal/mol:

55.96

Dipole, Da:

6.07

IP(EA), eV:

 -8.66(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OCCN(C)C)N=C2

DOS

IR

Vibrations