Geometry & MOs

Info

ID:	293064
PubChem CID:	117373206
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-161.48
Dipole, Da:	3.28
IP(EA), eV:	-9.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)O)C2(CCC2)C(=O)O

DOS

IR

Vibrations