Geometry & MOs

Info

ID:	191053
PubChem CID:	78099876
Reduced:	O9C22H30 (1)
Stoich.:	A9B22C30 (1)
Weight, g/mol:	346.235539
ΔH_f, kcal/mol:	-371.26
Dipole, Da:	7.23
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3,5-dihydroxy-6-methyloxan-2-yl)oxydodecanoic acid

Drug info:

PubChemData

Smile

CC1C(CC(C(O1)OC(C)CCCCC=CC(=O)O)O)OC(=O)OC2=CC=C(C=C2)O

DOS

IR

Vibrations