Geometry & MOs

Info

ID:	294688
PubChem CID:	117481274
Reduced:	ClO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	297.98407
ΔH_f, kcal/mol:	-180.64
Dipole, Da:	4.15
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-3-(cyclopropylmethoxy)phenyl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=C(C(=C1C(C(=O)OC)O)OC)Cl

DOS

IR

Vibrations