Geometry & MOs

Info

ID:	403656
PubChem CID:	135061216
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-127.96
Dipole, Da:	3.94
IP(EA), eV:	-9.58(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methylidene-2-oxo-3-(3-phenylprop-2-ynyl)oxolane-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C\1/CC(C(=O)O1)(CC#CC)C(=O)OC

DOS

IR

Vibrations