Geometry & MOs

Info

ID:

308993

PubChem CID:

126533686

Reduced:

ON7C29H31 (1)

Stoich.:

AB7C29D31 (1)

Weight, g/mol:

590.266634

ΔHf, kcal/mol:

106.49

Dipole, Da:

8.19

IP(EA), eV:

 -8.18(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3E)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]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

CCCCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=N4)C=CC=C5N6CCCCC6)N=C2

DOS

IR

Vibrations