Geometry & MOs

Info

ID:	231597
PubChem CID:	87574285
Reduced:	ClO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	5.3
IP(EA), eV:	-9.8(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-1-en-3-yl 8-oxabicyclo[5.1.0]octane-3-carboxylate

Drug info:

PubChemData

Smile

C1CC=CC(C(C1)C(=O)O)C/C=C/Cl

DOS

IR

Vibrations