Geometry & MOs

Info

ID:	5849
PubChem CID:	13903
Reduced:	NaO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	216.076239
ΔH_f, kcal/mol:	-172.75
Dipole, Da:	6.38
IP(EA), eV:	-8.46(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4-hydroxy-2-methyl-5-propan-2-ylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=O)[O-])C(C)C)O.[Na+]

DOS

IR

Vibrations