Geometry & MOs

Info

ID:	293067
PubChem CID:	117373240
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-153.09
Dipole, Da:	5.76
IP(EA), eV:	-9.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=C(C=CC(=C2)O)C=O)C(=O)O

DOS

IR

Vibrations