Geometry & MOs

Info

ID:	414202
PubChem CID:	135087158
Reduced:	ClF3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	383.2128
ΔH_f, kcal/mol:	-257.71
Dipole, Da:	3.57
IP(EA), eV:	-10.09(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(1S,2R)-2-tert-butylperoxy-3-nitro-1-phenylpropoxy]-dimethylsilane

Drug info:

PubChemData

Smile

COC(=O)CC(=O)/C(=C/C1=CC=C(C=C1)C(F)(F)F)/Cl

DOS

IR

Vibrations