Geometry & MOs

Info

ID:	409307
PubChem CID:	135082087
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	262.084124
ΔH_f, kcal/mol:	-87.61
Dipole, Da:	5.65
IP(EA), eV:	-9.46(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4Z)-4-benzylidene-5-oxo-2-propyl-1,3-dioxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C(=O)C(=O)C=C2)C(C)C)O

DOS

IR

Vibrations