Geometry & MOs

Info

ID:	383840
PubChem CID:	134975813
Reduced:	NC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	1.66
IP(EA), eV:	-8.15(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-4,5-dimethyl-5-(propan-2-yloxymethyl)furan-2-one

Drug info:

PubChemData

Smile

CC/C=C\NC1CCCCC1

DOS

IR

Vibrations