Geometry & MOs

Info

ID:

446469

PubChem CID:

135275235

Reduced:

FON8H25C28 (1)

Stoich.:

ABC8D25E28 (1)

Weight, g/mol:

523.213201

ΔHf, kcal/mol:

107.31

Dipole, Da:

12.8

IP(EA), eV:

 -8.69(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-5-[(2E)-2-[5-[5-[(1-hydroxy-3-methylbutyl)amino]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]imidazo[4,5-c]pyridin-4-yl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)C(NC1=CN=CC(=C1)C2=C(C\3=C(C=C2)NN/C3=C/4\N=C5C=CN=C(C5=N4)C6=CC=NC=C6)F)O

DOS

IR

Vibrations