Geometry & MOs

Info

ID:

308841

PubChem CID:

126522880

Reduced:

FON7C34H34 (1)

Stoich.:

ABC7D34E34 (1)

Weight, g/mol:

494.254258

ΔHf, kcal/mol:

92.36

Dipole, Da:

6.34

IP(EA), eV:

 -8.41(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)F)OCCN7CCCC7

DOS

IR

Vibrations