Geometry & MOs

Info

ID:

427642

PubChem CID:

135160886

Reduced:

F2O4N6C27H32 (1)

Stoich.:

A2B4C6D27E32 (1)

Weight, g/mol:

461.222703

ΔHf, kcal/mol:

-130.39

Dipole, Da:

4.85

IP(EA), eV:

 -8.52(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-fluoro-3,5-dimethoxyphenyl)-5-[(5-methylidenepyrrolidin-2-yl)methyl]-3-[(3E)-penta-1,3-dien-3-yl]pyrido[2,3-b]pyrazin-6-imine

Drug info:

PubChemData

Smile

C[C@@H](COC(C)C)C(CN(C1=NC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=C(C(=CC(=C4F)OC)OC)F)O

DOS

IR

Vibrations