Geometry & MOs

Info

ID:

144975

PubChem CID:

53442912

Reduced:

O3C20H21 (1)

Stoich.:

A3B20C21 (1)

Weight, g/mol:

324.114871

ΔHf, kcal/mol:

-88.16

Dipole, Da:

2.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.157515

Charge, e:

 0

Chem-info

IUPAC name:

[difluoro-(2,3,4-trifluorophenyl)methyl] octanoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C)C(=O)C(=O)[O-]

DOS

IR

Vibrations