Geometry & MOs

Info

ID:	4749
PubChem CID:	11966
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-55.03
Dipole, Da:	3.11
IP(EA), eV:	-9.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl benzenecarboperoxoate

Drug info:

PubChemData

Smile

CC(C)(C)OOC(=O)C1=CC=CC=C1

DOS

IR

Vibrations