Geometry & MOs

Info

ID:	226351
PubChem CID:	87350563
Reduced:	NaO5C7H12 (1)
Stoich.:	AB5C7D12 (1)
Weight, g/mol:	150.008372
ΔH_f, kcal/mol:	-245.95
Dipole, Da:	5.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756331
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-chloroethaneperoxoate

Drug info:

PubChemData

Smile

COC(/C(=C\O)/C(=O)OC)OC.[Na]

DOS

IR

Vibrations