Geometry & MOs

Info

ID:	53308
PubChem CID:	14710280
Reduced:	O4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	308.081537
ΔH_f, kcal/mol:	-181.5
Dipole, Da:	5.7
IP(EA), eV:	-10.61(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-chlorophenyl)methyl]-5-ethenyl-2-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC1(CC(OC1=O)C=C)C(=O)OCC

DOS

IR

Vibrations