Geometry & MOs

Info

ID:	294754
PubChem CID:	117488697
Reduced:	BrClO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	301.97092
ΔH_f, kcal/mol:	-60.79
Dipole, Da:	5.03
IP(EA), eV:	-9.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloro-2-methylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C(CC(=O)O)C2=C(C=CC=C2Br)Cl

DOS

IR

Vibrations