Geometry & MOs

Info

ID:	200029
PubChem CID:	79334889
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	256.086622
ΔH_f, kcal/mol:	-88.44
Dipole, Da:	3.07
IP(EA), eV:	-8.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C=CCO)OC1

DOS

IR

Vibrations