Geometry & MOs

Info

ID:	225873
PubChem CID:	87235875
Reduced:	O2C11H16 (2)
Stoich.:	A2B11C16 (2)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-140.73
Dipole, Da:	5.9
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethenyl-2-ethoxycarbonyl-3-hydroxy-6-methylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H](C=CC=CC=CC(=CC=CC=CC(=O)O)O)O

DOS

IR

Vibrations