Geometry & MOs

Info

ID:	294682
PubChem CID:	117480956
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	298.021971
ΔH_f, kcal/mol:	-10.82
Dipole, Da:	5.19
IP(EA), eV:	-8.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC2=C(C=C1)NC3=C2C4CCN3CC4

DOS

IR

Vibrations