Geometry & MOs

Info

ID:	293849
PubChem CID:	117405495
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	260.008766
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	4.98
IP(EA), eV:	-9.42(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-5-methoxy-1,3-benzodioxol-4-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)C2CCCCCC2)C(=O)O

DOS

IR

Vibrations