Geometry & MOs

Info

ID:

327905

PubChem CID:

126691285

Reduced:

ON3H37C55 (1)

Stoich.:

AB3C37D55 (1)

Weight, g/mol:

284.123544

ΔHf, kcal/mol:

254.13

Dipole, Da:

4.21

IP(EA), eV:

 -7.9(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-6,6,6-trifluoro-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hexanoic acid

Drug info:

PubChemData

Smile

C=CC1=C(OC2=C1C=CC=C2C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=C(C=C1)C#N)C=C

DOS

IR

Vibrations