Geometry & MOs

Info

ID:

311728

PubChem CID:

126597560

Reduced:

FO2N7H20C22 (1)

Stoich.:

AB2C7D20E22 (1)

Weight, g/mol:

560.22958

ΔHf, kcal/mol:

16.26

Dipole, Da:

4.47

IP(EA), eV:

 -8.84(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[6-fluoro-1-[(6-morpholin-4-ylpyridin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)F)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)N[C@@H]5CC[C@@H](C5)CC#N

DOS

IR

Vibrations