Geometry & MOs

Info

ID:	293069
PubChem CID:	117373251
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-130.91
Dipole, Da:	7.66
IP(EA), eV:	-9.21(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-(5-methyl-1,3-benzodioxol-4-yl)propanoic acid

Drug info:

PubChemData

Smile

C1COC2=CC=CC(=C2OC1)C3(CC3)CC(=O)O

DOS

IR

Vibrations