Geometry & MOs

Info

ID:	293071
PubChem CID:	117373352
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	7.86
IP(EA), eV:	-9.08(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1OCCCO2)C3(CC3)C(=O)O

DOS

IR

Vibrations