Geometry & MOs

Info

ID:	23166
PubChem CID:	602599
Reduced:	O2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	4.57
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-phenyl-1,3-benzodioxol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)CCC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations