Geometry & MOs

Info

ID:	224547
PubChem CID:	85344650
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	208.037173
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	6.79
IP(EA), eV:	-8.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-2-hydroxyprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC(=O)CCC2)ON1C

DOS

IR

Vibrations