Geometry & MOs

Info

ID:	225461
PubChem CID:	85786997
Reduced:	ClO2F3H8C13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-212.41
Dipole, Da:	3.95
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylethyl ethaneperoxoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C=CC(=C2)O)O)C(F)(F)F)Cl

DOS

IR

Vibrations