Geometry & MOs

Info

ID:	294051
PubChem CID:	117425378
Reduced:	ClO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-143.06
Dipole, Da:	6.12
IP(EA), eV:	-8.94(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-hydroxy-4-propan-2-ylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)Cl)C(C)(C)CC(=O)O

DOS

IR

Vibrations