Geometry & MOs

Info

ID:	21183
PubChem CID:	587484
Reduced:	OC3H4 (3)
Stoich.:	AB3C4 (3)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-129.35
Dipole, Da:	2.07
IP(EA), eV:	-9.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxypropylidene)cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCC(=C1C(=O)CCCC1=O)O

DOS

IR

Vibrations