Geometry & MOs

Info

ID:	9326
PubChem CID:	87956
Reduced:	O5C17H26 (1)
Stoich.:	A5B17C26 (1)
Weight, g/mol:	310.178024
ΔH_f, kcal/mol:	-234.65
Dipole, Da:	0.94
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decyl 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O

DOS

IR

Vibrations