Geometry & MOs

Info

ID:	402741
PubChem CID:	135057104
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	1.7
IP(EA), eV:	-9.55(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-acetyl-5-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C(=O)C1=CC=CC=C1C)O

DOS

IR

Vibrations