Geometry & MOs

Info

ID:	50964
PubChem CID:	12013569
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	288.097329
ΔH_f, kcal/mol:	-73.7
Dipole, Da:	1.13
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3R)-3-[4-(trifluoromethyl)phenyl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]1[C@H](O1)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations