Geometry & MOs

Info

ID:	147237
PubChem CID:	53786891
Reduced:	F2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	408.193674
ΔH_f, kcal/mol:	-191.05
Dipole, Da:	1.93
IP(EA), eV:	-9.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[6-[6-(3,4-dihydroxyphenyl)hexoxy]naphthalen-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2=CC(=C(C(=C2)F)OC(=O)C)F

DOS

IR

Vibrations