Geometry & MOs

Info

ID:

308990

PubChem CID:

126533626

Reduced:

FON7H20C31 (1)

Stoich.:

ABC7D20E31 (1)

Weight, g/mol:

477.18257

ΔHf, kcal/mol:

153.55

Dipole, Da:

5.43

IP(EA), eV:

 -8.83(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3E)-3-[4-(3-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

C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CC=CC=C7F)N=C3

DOS

IR

Vibrations