Geometry & MOs

Info

ID:	407804
PubChem CID:	135080559
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	202.045293
ΔH_f, kcal/mol:	42.93
Dipole, Da:	1.79
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-4,4,4-trifluoro-2,3-dihydroxybutanoate

Drug info:

PubChemData

Smile

CCCCCC/C=C/C=C\N1C=CC=N1

DOS

IR

Vibrations