Geometry & MOs

Info

ID:	19877
PubChem CID:	574493
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-103.04
Dipole, Da:	1.8
IP(EA), eV:	-10.15(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylcyclopentane-1,3-dione

Drug info:

PubChemData

Smile

CCCCC1C(=O)CCC1=O

DOS

IR

Vibrations