Geometry & MOs

Info

ID:	228687
PubChem CID:	87565546
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	6.71
IP(EA), eV:	-9.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylphenyl) ethaneperoxoate

Drug info:

PubChemData

Smile

CC1(C\2CCC1(C(=O)/C2=C\C3=CC=C(C=C3)C=O)C)C

DOS

IR

Vibrations