Geometry & MOs

Info

ID:	380995
PubChem CID:	134971617
Reduced:	NaO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-244.28
Dipole, Da:	6.23
IP(EA), eV:	-9.24(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-(3-hydroxy-3-methylbutanoyl)cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations