Geometry & MOs

Info

ID:

443298

PubChem CID:

135258465

Reduced:

NH51C56 (1)

Stoich.:

AB51C56 (1)

Weight, g/mol:

409.124485

ΔHf, kcal/mol:

150.81

Dipole, Da:

2.28

IP(EA), eV:

 -8.26(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3-chloro-4-ethenylphenoxy)methyl]-5-cyclopropyl-3-(2-fluoro-6-prop-2-enylphenyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC1C=CC2(C3=CC=CC=C3N(C4(C2=C1C(C=C4)(C)C5=CC6=C(C=C5)C7=CC=CC=C7C6(C)C)C)C8=CC=C(C=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C1(C)C)C

DOS

IR

Vibrations