Geometry & MOs

Info

ID:	294813
PubChem CID:	117498120
Reduced:	BrO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	311.99972
ΔH_f, kcal/mol:	-124.3
Dipole, Da:	6.39
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

C1CC1(CC(=O)O)C2=C(C=CC3=C2OCCO3)Br

DOS

IR

Vibrations