Geometry & MOs

Info

ID:	230788
PubChem CID:	87572008
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	274.001094
ΔH_f, kcal/mol:	-22.72
Dipole, Da:	3.68
IP(EA), eV:	-8.93(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl 2,2-dichloroacetate

Drug info:

PubChemData

Smile

CCC/C=C/COC1=CC=CC(=C1)CN

DOS

IR

Vibrations