Geometry & MOs

Info

ID:	293065
PubChem CID:	117373213
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-141.99
Dipole, Da:	4.97
IP(EA), eV:	-8.92(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OCCO2)C3(CCC3)C(=O)O

DOS

IR

Vibrations