Geometry & MOs

Info

ID:	25063
PubChem CID:	618290
Reduced:	O5C16H16 (1)
Stoich.:	A5B16C16 (1)
Weight, g/mol:	288.099774
ΔH_f, kcal/mol:	-81.67
Dipole, Da:	3.64
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4a-hydroperoxy-4,9b-dimethyldibenzofuran-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C2(C1(OC3=CC=CC=C32)OO)C)C(=O)OC

DOS

IR

Vibrations