Geometry & MOs

Info

ID:	5218
PubChem CID:	12780
Reduced:	OC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	138.06808
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	3.0
IP(EA), eV:	-9.29(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(furan-2-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CCC1=CC=CO1

DOS

IR

Vibrations