Geometry & MOs

Info

ID:

445623

PubChem CID:

135268632

Reduced:

F2O2N4H22C25 (1)

Stoich.:

A2B2C4D22E25 (1)

Weight, g/mol:

494.249333

ΔHf, kcal/mol:

-77.13

Dipole, Da:

7.72

IP(EA), eV:

 -8.84(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-1-[2,4-difluoro-5-[(5E)-5-[(2E)-3-morpholin-4-ylpenta-2,4-dienylidene]-4H-pyrimidin-6-yl]phenyl]-3-methyl-2-(propan-2-ylideneamino)penta-2,4-dien-1-ol

Drug info:

PubChemData

Smile

CN1C(=O)C=CC=C1CC2=CC(=C(C=C2F)F)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5

DOS

IR

Vibrations