Geometry & MOs

Info

ID:	405710
PubChem CID:	135075147
Reduced:	BrNO5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	1.04
IP(EA), eV:	-8.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-methyl-4-phenylbutaneperoxoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CC(=O)OC)/C(=N/O)/CBr)OC

DOS

IR

Vibrations