Geometry & MOs

Info

ID:	380972
PubChem CID:	134971586
Reduced:	NaO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-130.9
Dipole, Da:	21.09
IP(EA), eV:	-7.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-(3-methylbut-2-enoyl)cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)C1CC=CC[C@@H]1C(=O)[O-])C.[Na+]

DOS

IR

Vibrations