Geometry & MOs

Info

ID:	227289
PubChem CID:	87561073
Reduced:	NO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	5.69
IP(EA), eV:	-10.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-2-prop-2-enylhexanoic acid

Drug info:

PubChemData

Smile

C/C=C/C(=O)OC(CCN=C=O)CO

DOS

IR

Vibrations