Geometry & MOs

Info

ID:

299576

PubChem CID:

117688006

Reduced:

F2N4O4C23H25 (2)

Stoich.:

A2B4C4D23E25 (2)

Weight, g/mol:

482.254258

ΔHf, kcal/mol:

-420.38

Dipole, Da:

7.35

IP(EA), eV:

 -8.76(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[8-[[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino]imidazo[1,2-a]pyridin-6-yl]-2H-indazol-3-yl]ethanol

Drug info:

PubChemData

Smile

CN([C@H](C1CCOCC1)C(=O)N2CC(C[C@H]2C3=NC=C(N3)C4=CC=C(C=C4)C#CC5=CC=C(C=C5)C6=CN=C(N6)[C@@H]7CC(CN7C(=O)[C@H](C8CCOCC8)NC(=O)OC)(F)F)(F)F)C(=O)O

DOS

IR

Vibrations