Geometry & MOs

Info

ID:	399499
PubChem CID:	135040618
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	260.087158
ΔH_f, kcal/mol:	-53.85
Dipole, Da:	3.29
IP(EA), eV:	-8.16(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-hydroxy-4,4-dimethoxy-2-(trifluoromethyl)butanoate

Drug info:

PubChemData

Smile

CC(=C)COC1=C(C=C(C=C1)C=C2CCCCC2)OC

DOS

IR

Vibrations