Geometry & MOs

Info

ID:	293245
PubChem CID:	117378509
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-178.83
Dipole, Da:	6.02
IP(EA), eV:	-8.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(C2=C(C=CC3=C2OCCO3)O)C(=O)O

DOS

IR

Vibrations