Geometry & MOs

Info

ID:

308979

PubChem CID:

126533382

Reduced:

FON8C33H33 (1)

Stoich.:

ABC8D33E33 (1)

Weight, g/mol:

477.18257

ΔHf, kcal/mol:

117.39

Dipole, Da:

5.45

IP(EA), eV:

 -8.72(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3E)-3-[4-(4-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CN=CC(=C6)CN7CCCC7)/C=C23)F

DOS

IR

Vibrations