Geometry & MOs

Info

ID:	205040
PubChem CID:	80047580
Reduced:	FNSC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-29.7
Dipole, Da:	2.46
IP(EA), eV:	-8.61(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-benzodioxol-5-yl)-1-hydroxyethyl]hexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC2=CC=CC(=C2)F)CNC(C)(C)C

DOS

IR

Vibrations