Geometry & MOs

Info

ID:	50965
PubChem CID:	12013570
Reduced:	F3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	265.095023
ΔH_f, kcal/mol:	-253.38
Dipole, Da:	3.0
IP(EA), eV:	-10.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3R)-3-(4-nitrophenyl)oxirane-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations