Geometry & MOs

Info

ID:	52267
PubChem CID:	12015078
Reduced:	F2O3C14H24 (1)
Stoich.:	A2B3C14D24 (1)
Weight, g/mol:	296.159929
ΔH_f, kcal/mol:	-254.29
Dipole, Da:	3.44
IP(EA), eV:	-9.98(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S,3R)-2-methoxy-3-(trifluoromethyl)undec-4-enoate

Drug info:

PubChemData

Smile

CCCCCC/C=C/[C@H]([C@@H](C(=O)OC)OC)C(F)F

DOS

IR

Vibrations