Geometry & MOs

Info

ID:	293886
PubChem CID:	117410082
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-154.57
Dipole, Da:	3.94
IP(EA), eV:	-9.02(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OCO2)C3(CCCCC3)C(=O)O

DOS

IR

Vibrations