Geometry & MOs

Info

ID:

136116

PubChem CID:

51980170

Reduced:

ClN2O6H12C14 (1)

Stoich.:

AB2C6D12E14 (1)

Weight, g/mol:

212.060407

ΔHf, kcal/mol:

-150.94

Dipole, Da:

7.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.253115

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(4-methylphenoxy)butanoyl chloride

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)/C=C/C2=NN(C(=O)O2)CC(=O)[O-])Cl)OC

DOS

IR

Vibrations